Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c1cd' (ED25519) to the list of known hosts.
Running: /usr/bin/copr-rpmbuild --verbose --drop-resultdir --build-id 5270193 --chroot fedora-rawhide-x86_64 --detached
Version: 0.62
PID: 20089
Logging PID: 20090
Task:
{'appstream': True,
'background': True,
'build_id': 5270193,
'buildroot_pkgs': [],
'chroot': 'fedora-rawhide-x86_64',
'enable_net': False,
'fedora_review': False,
'git_hash': '8484a7b7cfcabab1aac7e61af0b4011489e60574',
'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/thrnciar/python-packaging/python-cclib',
'isolation': 'default',
'memory_reqs': 2048,
'package_name': 'python-cclib',
'package_version': '1.7.1-3.20220618git8e6892a5',
'project_dirname': 'python-packaging',
'project_name': 'python-packaging',
'project_owner': 'thrnciar',
'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/thrnciar/python-packaging/fedora-rawhide-x86_64/',
'id': 'copr_base',
'name': 'Copr repository'}],
'sandbox': 'thrnciar/python-packaging--thrnciar',
'source_json': {},
'source_type': None,
'submitter': 'thrnciar',
'tags': [],
'task_id': '5270193-fedora-rawhide-x86_64',
'timeout': 18000,
'uses_devel_repo': False,
'with_opts': [],
'without_opts': []}
Running: git clone https://copr-dist-git.fedorainfracloud.org/git/thrnciar/python-packaging/python-cclib /var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib --depth 500 --no-single-branch --recursive
cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/thrnciar/python-packaging/python-cclib', '/var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib', '--depth', '500', '--no-single-branch', '--recursive']
cwd: .
rc: 0
stdout:
stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib'...
Running: git checkout 8484a7b7cfcabab1aac7e61af0b4011489e60574
cmd: ['git', 'checkout', '8484a7b7cfcabab1aac7e61af0b4011489e60574']
cwd: /var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib
rc: 0
stdout:
stderr: Note: switching to '8484a7b7cfcabab1aac7e61af0b4011489e60574'.
You are in 'detached HEAD' state. You can look around, make experimental
changes and commit them, and you can discard any commits you make in this
state without impacting any branches by switching back to a branch.
If you want to create a new branch to retain commits you create, you may
do so (now or later) by using -c with the switch command. Example:
git switch -c <new-branch-name>
Or undo this operation with:
git switch -
Turn off this advice by setting config variable advice.detachedHead to false
HEAD is now at 8484a7b automatic import of python-cclib
Running: copr-distgit-client sources
/usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated
cmd: ['copr-distgit-client', 'sources']
cwd: /var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib
rc: 0
stdout:
stderr: INFO: Reading stdout from command: git rev-parse --abbrev-ref HEAD
INFO: Reading stdout from command: git rev-parse HEAD
INFO: Reading sources specification file: sources
INFO: Downloading cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz
INFO: Calling: curl -H Pragma: -o cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz --location --remote-time --show-error --fail https://copr-dist-git.fedorainfracloud.org/repo/pkgs/thrnciar/python-packaging/python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz/md5/22f02bf4cc0602447a43116b8681cba5/cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz
% Total % Received % Xferd Average Speed Time Time Time Current
Dload Upload Total Spent Left Speed
100 40.4M 100 40.4M 0 0 25.5M 0 0:00:01 0:00:01 --:--:-- 25.5M
INFO: Reading stdout from command: md5sum cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz
Running (timeout=18000): unbuffer mock --buildsrpm --spec /var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib/python-cclib.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1674297577.474532 -r /var/lib/copr-rpmbuild/results/configs/child.cfg
INFO: mock.py version 3.5 starting (python version = 3.11.0, NVR = mock-3.5-1.fc37)...
Start(bootstrap): init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish(bootstrap): init plugins
Start: init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish: init plugins
INFO: Signal handler active
Start: run
INFO: Start(/var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib/python-cclib.spec) Config(fedora-rawhide-x86_64)
Start: clean chroot
Finish: clean chroot
Start(bootstrap): chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1674297577.474532/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start(bootstrap): cleaning package manager metadata
Finish(bootstrap): cleaning package manager metadata
INFO: enabled HW Info plugin
Mock Version: 3.5
INFO: Mock Version: 3.5
Start(bootstrap): dnf install
No matches found for the following disable plugin patterns: local, spacewalk, versionlock
Updating Subscription Management repositories.
Unable to read consumer identity
This system is not registered with an entitlement server. You can use subscription-manager to register.
Copr repository 37 MB/s | 12 MB 00:00
fedora 18 MB/s | 65 MB 00:03
Last metadata expiration check: 0:00:02 ago on Sat Jan 21 10:39:44 2023.
Dependencies resolved.
================================================================================
Package Arch Version Repo Size
================================================================================
Installing:
dnf noarch 4.14.0-2.fc38 copr_base 467 k
dnf-plugins-core noarch 4.3.1-2.fc38 copr_base 34 k
Installing dependencies:
alternatives x86_64 1.21-1.fc38 fedora 38 k
audit-libs x86_64 3.0.9-3.fc38 copr_base 117 k
basesystem noarch 11-14.fc37 fedora 7.0 k
bash x86_64 5.2.15-1.fc38 fedora 1.8 M
bzip2-libs x86_64 1.0.8-12.fc37 fedora 41 k
ca-certificates noarch 2022.2.54-5.fc37 fedora 829 k
coreutils x86_64 9.1-10.fc38 fedora 1.1 M
coreutils-common x86_64 9.1-10.fc38 fedora 2.0 M
crypto-policies noarch 20221215-2.gita4c31a3.fc38 copr_base 64 k
curl x86_64 7.87.0-3.fc38 copr_base 347 k
cyrus-sasl-lib x86_64 2.1.28-8.fc38 fedora 792 k
dbus-libs x86_64 1:1.14.4-1.fc38 fedora 156 k
dnf-data noarch 4.14.0-2.fc38 copr_base 41 k
elfutils-default-yama-scope noarch 0.188-3.fc38 fedora 15 k
elfutils-libelf x86_64 0.188-3.fc38 fedora 196 k
elfutils-libs x86_64 0.188-3.fc38 fedora 257 k
expat x86_64 2.5.0-1.fc38 fedora 110 k
fedora-gpg-keys noarch 38-0.3 fedora 125 k
fedora-release noarch 38-0.15 fedora 11 k
fedora-release-common noarch 38-0.15 fedora 21 k
fedora-release-identity-basic
noarch 38-0.15 fedora 12 k
fedora-repos noarch 38-0.3 fedora 10 k
fedora-repos-rawhide noarch 38-0.3 fedora 9.7 k
file-libs x86_64 5.42-5.fc38 copr_base 676 k
filesystem x86_64 3.18-2.fc37 fedora 1.1 M
findutils x86_64 1:4.9.0-2.fc37 fedora 492 k
gawk x86_64 5.1.1-4.fc37 fedora 1.0 M
gdbm-libs x86_64 1:1.23-2.fc37 fedora 56 k
glib2 x86_64 2.74.1-3.fc38 copr_base 2.7 M
glibc x86_64 2.36.9000-23.fc38 copr_base 2.1 M
glibc-common x86_64 2.36.9000-23.fc38 copr_base 307 k
glibc-minimal-langpack x86_64 2.36.9000-23.fc38 copr_base 34 k
gmp x86_64 1:6.2.1-3.fc37 fedora 315 k
gnupg2 x86_64 2.4.0-1.fc38 fedora 2.6 M
gnutls x86_64 3.7.8-11.fc38 copr_base 1.1 M
gpgme x86_64 1.17.1-3.fc38 fedora 210 k
grep x86_64 3.8-2.fc38 fedora 292 k
ima-evm-utils x86_64 1.4-6.fc37 fedora 63 k
json-c x86_64 0.16-3.fc38 fedora 41 k
keyutils-libs x86_64 1.6.1-5.fc37 fedora 31 k
krb5-libs x86_64 1.20.1-7.fc38 copr_base 722 k
libacl x86_64 2.3.1-4.fc37 fedora 23 k
libarchive x86_64 3.6.1-3.fc38 fedora 397 k
libassuan x86_64 2.5.5-5.fc37 fedora 67 k
libattr x86_64 2.5.1-5.fc37 fedora 18 k
libb2 x86_64 0.98.1-7.fc37 fedora 25 k
libblkid x86_64 2.38.1-3.fc38 fedora 106 k
libbrotli x86_64 1.0.9-11.fc38 copr_base 317 k
libcap x86_64 2.48-5.fc37 fedora 67 k
libcap-ng x86_64 0.8.3-5.fc38 copr_base 33 k
libcom_err x86_64 1.46.5-3.fc37 fedora 25 k
libcomps x86_64 0.1.18-5.fc38 copr_base 77 k
libcurl x86_64 7.87.0-3.fc38 copr_base 304 k
libdnf x86_64 0.68.0-2.fc38 copr_base 653 k
libevent x86_64 2.1.12-8.fc38 copr_base 258 k
libffi x86_64 3.4.4-1.fc38 fedora 38 k
libfsverity x86_64 1.4-8.fc37 fedora 19 k
libgcc x86_64 13.0.1-0.1.fc38 fedora 93 k
libgcrypt x86_64 1.10.1-6.fc38 fedora 511 k
libgomp x86_64 13.0.1-0.1.fc38 fedora 300 k
libgpg-error x86_64 1.46-1.fc38 fedora 227 k
libidn2 x86_64 2.3.4-1.fc38 fedora 160 k
libksba x86_64 1.6.3-1.fc38 fedora 158 k
libmodulemd x86_64 2.14.0-5.fc38 copr_base 234 k
libmount x86_64 2.38.1-3.fc38 fedora 135 k
libnghttp2 x86_64 1.51.0-2.fc38 copr_base 76 k
libnsl2 x86_64 2.0.0-4.fc37 fedora 30 k
libpsl x86_64 0.21.2-2.fc38 copr_base 66 k
librepo x86_64 1.15.1-2.fc38 copr_base 97 k
libreport-filesystem noarch 2.17.6-2.fc38 copr_base 14 k
libselinux x86_64 3.5-0.rc1.1.fc38.1 fedora 86 k
libsemanage x86_64 3.5-0.rc1.1.fc38 fedora 119 k
libsepol x86_64 3.5-0.rc1.1.fc38 fedora 322 k
libsigsegv x86_64 2.14-3.fc37 fedora 27 k
libsmartcols x86_64 2.38.1-3.fc38 fedora 64 k
libsolv x86_64 0.7.22-4.fc38 copr_base 412 k
libssh x86_64 0.10.4-2.fc38 fedora 209 k
libssh-config noarch 0.10.4-2.fc38 fedora 8.8 k
libstdc++ x86_64 13.0.1-0.1.fc38 fedora 844 k
libtasn1 x86_64 4.19.0-1.fc38 fedora 75 k
libtirpc x86_64 1.3.3-0.fc37 fedora 93 k
libunistring x86_64 1.0-2.fc37 fedora 549 k
libuuid x86_64 2.38.1-3.fc38 fedora 27 k
libverto x86_64 0.3.2-4.fc37 fedora 21 k
libxcrypt x86_64 4.4.33-5.fc38 fedora 120 k
libxml2 x86_64 2.10.3-3.fc38 copr_base 701 k
libyaml x86_64 0.2.5-8.fc37 fedora 60 k
libzstd x86_64 1.5.2-3.fc37 fedora 294 k
lua-libs x86_64 5.4.4-7.fc38 fedora 131 k
lz4-libs x86_64 1.9.4-1.fc38 fedora 67 k
mpdecimal x86_64 2.5.1-4.fc37 fedora 102 k
mpfr x86_64 4.1.1-2.fc38 fedora 598 k
ncurses-base noarch 6.4-2.20230114.fc38 fedora 87 k
ncurses-libs x86_64 6.4-2.20230114.fc38 fedora 333 k
nettle x86_64 3.8-2.fc37 fedora 414 k
npth x86_64 1.6-10.fc38 fedora 24 k
openldap x86_64 2.6.3-1.fc38 fedora 254 k
openssl-libs x86_64 1:3.0.7-3.fc38 fedora 2.1 M
p11-kit x86_64 0.24.1-5.fc38 fedora 376 k
p11-kit-trust x86_64 0.24.1-5.fc38 fedora 137 k
pcre2 x86_64 10.42-1.fc38 fedora 234 k
pcre2-syntax noarch 10.42-1.fc38 fedora 144 k
popt x86_64 1.19-1.fc38 fedora 66 k
publicsuffix-list-dafsa noarch 20221208-1.fc38 fedora 59 k
python-pip-wheel noarch 22.3.1-1.fc38 fedora 1.4 M
python-setuptools-wheel noarch 65.5.1-1.fc38 fedora 715 k
python3 x86_64 3.11.1-3.fc38 copr_base 28 k
python3-dateutil noarch 1:2.8.2-4.fc37 fedora 361 k
python3-dbus x86_64 1.3.2-2.fc38 copr_base 147 k
python3-distro noarch 1.8.0-1.fc38 fedora 49 k
python3-dnf noarch 4.14.0-2.fc38 copr_base 564 k
python3-dnf-plugins-core noarch 4.3.1-2.fc38 copr_base 263 k
python3-gpg x86_64 1.17.1-3.fc38 fedora 296 k
python3-hawkey x86_64 0.68.0-2.fc38 copr_base 108 k
python3-libcomps x86_64 0.1.18-5.fc38 copr_base 48 k
python3-libdnf x86_64 0.68.0-2.fc38 copr_base 817 k
python3-libs x86_64 3.11.1-3.fc38 copr_base 9.2 M
python3-rpm x86_64 4.18.0-9.fc38 fedora 73 k
python3-six noarch 1.16.0-8.fc37 fedora 42 k
readline x86_64 8.2-2.fc38 fedora 211 k
rpm x86_64 4.18.0-9.fc38 fedora 569 k
rpm-build-libs x86_64 4.18.0-9.fc38 fedora 95 k
rpm-libs x86_64 4.18.0-9.fc38 fedora 312 k
rpm-sequoia x86_64 1.2.0-1.fc38 fedora 829 k
rpm-sign-libs x86_64 4.18.0-9.fc38 fedora 27 k
sed x86_64 4.8-11.fc37 fedora 306 k
setup noarch 2.14.3-1.fc38 fedora 152 k
shadow-utils x86_64 2:4.13-3.fc38 fedora 1.3 M
sqlite-libs x86_64 3.40.1-1.fc38 fedora 661 k
systemd-libs x86_64 252.4-598.fc38 fedora 632 k
tpm2-tss x86_64 4.0.0-1.fc38 fedora 711 k
tzdata noarch 2022g-1.fc38 fedora 716 k
xz-libs x86_64 5.2.9-1.fc38 fedora 93 k
zchunk-libs x86_64 1.2.3-1.fc38 fedora 51 k
zlib x86_64 1.2.13-2.fc38 fedora 94 k
Transaction Summary
================================================================================
Install 137 Packages
Total download size: 56 M
Installed size: 200 M
Downloading Packages:
(1/137): crypto-policies-20221215-2.gita4c31a3. 545 kB/s | 64 kB 00:00
(2/137): audit-libs-3.0.9-3.fc38.x86_64.rpm 923 kB/s | 117 kB 00:00
(3/137): dnf-4.14.0-2.fc38.noarch.rpm 9.5 MB/s | 467 kB 00:00
(4/137): dnf-data-4.14.0-2.fc38.noarch.rpm 1.0 MB/s | 41 kB 00:00
(5/137): curl-7.87.0-3.fc38.x86_64.rpm 2.0 MB/s | 347 kB 00:00
(6/137): dnf-plugins-core-4.3.1-2.fc38.noarch.r 2.1 MB/s | 34 kB 00:00
(7/137): file-libs-5.42-5.fc38.x86_64.rpm 21 MB/s | 676 kB 00:00
(8/137): glib2-2.74.1-3.fc38.x86_64.rpm 42 MB/s | 2.7 MB 00:00
(9/137): glibc-2.36.9000-23.fc38.x86_64.rpm 28 MB/s | 2.1 MB 00:00
(10/137): glibc-common-2.36.9000-23.fc38.x86_64 5.0 MB/s | 307 kB 00:00
(11/137): glibc-minimal-langpack-2.36.9000-23.f 1.4 MB/s | 34 kB 00:00
(12/137): gnutls-3.7.8-11.fc38.x86_64.rpm 52 MB/s | 1.1 MB 00:00
(13/137): krb5-libs-1.20.1-7.fc38.x86_64.rpm 17 MB/s | 722 kB 00:00
(14/137): libbrotli-1.0.9-11.fc38.x86_64.rpm 6.7 MB/s | 317 kB 00:00
(15/137): libcap-ng-0.8.3-5.fc38.x86_64.rpm 1.2 MB/s | 33 kB 00:00
(16/137): libcomps-0.1.18-5.fc38.x86_64.rpm 7.5 MB/s | 77 kB 00:00
(17/137): libcurl-7.87.0-3.fc38.x86_64.rpm 24 MB/s | 304 kB 00:00
(18/137): libdnf-0.68.0-2.fc38.x86_64.rpm 34 MB/s | 653 kB 00:00
(19/137): libevent-2.1.12-8.fc38.x86_64.rpm 16 MB/s | 258 kB 00:00
(20/137): libmodulemd-2.14.0-5.fc38.x86_64.rpm 17 MB/s | 234 kB 00:00
(21/137): libnghttp2-1.51.0-2.fc38.x86_64.rpm 7.2 MB/s | 76 kB 00:00
(22/137): libpsl-0.21.2-2.fc38.x86_64.rpm 6.3 MB/s | 66 kB 00:00
(23/137): librepo-1.15.1-2.fc38.x86_64.rpm 9.0 MB/s | 97 kB 00:00
(24/137): libreport-filesystem-2.17.6-2.fc38.no 1.4 MB/s | 14 kB 00:00
(25/137): libsolv-0.7.22-4.fc38.x86_64.rpm 29 MB/s | 412 kB 00:00
(26/137): libxml2-2.10.3-3.fc38.x86_64.rpm 40 MB/s | 701 kB 00:00
(27/137): python3-3.11.1-3.fc38.x86_64.rpm 1.8 MB/s | 28 kB 00:00
(28/137): python3-dbus-1.3.2-2.fc38.x86_64.rpm 12 MB/s | 147 kB 00:00
(29/137): python3-dnf-4.14.0-2.fc38.noarch.rpm 33 MB/s | 564 kB 00:00
(30/137): python3-dnf-plugins-core-4.3.1-2.fc38 14 MB/s | 263 kB 00:00
(31/137): python3-hawkey-0.68.0-2.fc38.x86_64.r 6.2 MB/s | 108 kB 00:00
(32/137): python3-libcomps-0.1.18-5.fc38.x86_64 4.1 MB/s | 48 kB 00:00
(33/137): python3-libdnf-0.68.0-2.fc38.x86_64.r 41 MB/s | 817 kB 00:00
(34/137): python3-libs-3.11.1-3.fc38.x86_64.rpm 42 MB/s | 9.2 MB 00:00
(35/137): alternatives-1.21-1.fc38.x86_64.rpm 168 kB/s | 38 kB 00:00
(36/137): bzip2-libs-1.0.8-12.fc37.x86_64.rpm 729 kB/s | 41 kB 00:00
(37/137): ca-certificates-2022.2.54-5.fc37.noar 5.5 MB/s | 829 kB 00:00
(38/137): basesystem-11-14.fc37.noarch.rpm 16 kB/s | 7.0 kB 00:00
(39/137): coreutils-9.1-10.fc38.x86_64.rpm 17 MB/s | 1.1 MB 00:00
(40/137): cyrus-sasl-lib-2.1.28-8.fc38.x86_64.r 8.6 MB/s | 792 kB 00:00
(41/137): bash-5.2.15-1.fc38.x86_64.rpm 4.3 MB/s | 1.8 MB 00:00
(42/137): elfutils-default-yama-scope-0.188-3.f 716 kB/s | 15 kB 00:00
(43/137): dbus-libs-1.14.4-1.fc38.x86_64.rpm 2.0 MB/s | 156 kB 00:00
(44/137): elfutils-libelf-0.188-3.fc38.x86_64.r 7.6 MB/s | 196 kB 00:00
(45/137): elfutils-libs-0.188-3.fc38.x86_64.rpm 8.4 MB/s | 257 kB 00:00
(46/137): expat-2.5.0-1.fc38.x86_64.rpm 4.2 MB/s | 110 kB 00:00
(47/137): fedora-gpg-keys-38-0.3.noarch.rpm 4.6 MB/s | 125 kB 00:00
(48/137): fedora-release-38-0.15.noarch.rpm 417 kB/s | 11 kB 00:00
(49/137): coreutils-common-9.1-10.fc38.x86_64.r 6.7 MB/s | 2.0 MB 00:00
(50/137): fedora-release-identity-basic-38-0.15 557 kB/s | 12 kB 00:00
(51/137): fedora-release-common-38-0.15.noarch. 686 kB/s | 21 kB 00:00
(52/137): fedora-repos-38-0.3.noarch.rpm 467 kB/s | 10 kB 00:00
(53/137): fedora-repos-rawhide-38-0.3.noarch.rp 448 kB/s | 9.7 kB 00:00
(54/137): gawk-5.1.1-4.fc37.x86_64.rpm 11 MB/s | 1.0 MB 00:00
(55/137): findutils-4.9.0-2.fc37.x86_64.rpm 5.0 MB/s | 492 kB 00:00
(56/137): gmp-6.2.1-3.fc37.x86_64.rpm 3.1 MB/s | 315 kB 00:00
(57/137): gdbm-libs-1.23-2.fc37.x86_64.rpm 221 kB/s | 56 kB 00:00
(58/137): gnupg2-2.4.0-1.fc38.x86_64.rpm 16 MB/s | 2.6 MB 00:00
(59/137): filesystem-3.18-2.fc37.x86_64.rpm 2.7 MB/s | 1.1 MB 00:00
(60/137): ima-evm-utils-1.4-6.fc37.x86_64.rpm 970 kB/s | 63 kB 00:00
(61/137): json-c-0.16-3.fc38.x86_64.rpm 1.6 MB/s | 41 kB 00:00
(62/137): grep-3.8-2.fc38.x86_64.rpm 2.3 MB/s | 292 kB 00:00
(63/137): keyutils-libs-1.6.1-5.fc37.x86_64.rpm 1.4 MB/s | 31 kB 00:00
(64/137): libacl-2.3.1-4.fc37.x86_64.rpm 1.0 MB/s | 23 kB 00:00
(65/137): libassuan-2.5.5-5.fc37.x86_64.rpm 2.7 MB/s | 67 kB 00:00
(66/137): libarchive-3.6.1-3.fc38.x86_64.rpm 9.4 MB/s | 397 kB 00:00
(67/137): libattr-2.5.1-5.fc37.x86_64.rpm 829 kB/s | 18 kB 00:00
(68/137): libb2-0.98.1-7.fc37.x86_64.rpm 1.1 MB/s | 25 kB 00:00
(69/137): libblkid-2.38.1-3.fc38.x86_64.rpm 4.3 MB/s | 106 kB 00:00
(70/137): libcap-2.48-5.fc37.x86_64.rpm 2.8 MB/s | 67 kB 00:00
(71/137): libcom_err-1.46.5-3.fc37.x86_64.rpm 1.1 MB/s | 25 kB 00:00
(72/137): libffi-3.4.4-1.fc38.x86_64.rpm 1.6 MB/s | 38 kB 00:00
(73/137): libfsverity-1.4-8.fc37.x86_64.rpm 854 kB/s | 19 kB 00:00
(74/137): libgcc-13.0.1-0.1.fc38.x86_64.rpm 3.4 MB/s | 93 kB 00:00
(75/137): libgcrypt-1.10.1-6.fc38.x86_64.rpm 11 MB/s | 511 kB 00:00
(76/137): libgomp-13.0.1-0.1.fc38.x86_64.rpm 6.7 MB/s | 300 kB 00:00
(77/137): libgpg-error-1.46-1.fc38.x86_64.rpm 5.8 MB/s | 227 kB 00:00
(78/137): gpgme-1.17.1-3.fc38.x86_64.rpm 559 kB/s | 210 kB 00:00
(79/137): libksba-1.6.3-1.fc38.x86_64.rpm 4.4 MB/s | 158 kB 00:00
(80/137): libidn2-2.3.4-1.fc38.x86_64.rpm 2.2 MB/s | 160 kB 00:00
(81/137): libnsl2-2.0.0-4.fc37.x86_64.rpm 1.0 MB/s | 30 kB 00:00
(82/137): libselinux-3.5-0.rc1.1.fc38.1.x86_64. 1.6 MB/s | 86 kB 00:00
(83/137): libsemanage-3.5-0.rc1.1.fc38.x86_64.r 3.4 MB/s | 119 kB 00:00
(84/137): libsigsegv-2.14-3.fc37.x86_64.rpm 1.1 MB/s | 27 kB 00:00
(85/137): libsmartcols-2.38.1-3.fc38.x86_64.rpm 2.7 MB/s | 64 kB 00:00
(86/137): libssh-0.10.4-2.fc38.x86_64.rpm 7.5 MB/s | 209 kB 00:00
(87/137): libmount-2.38.1-3.fc38.x86_64.rpm 801 kB/s | 135 kB 00:00
(88/137): libsepol-3.5-0.rc1.1.fc38.x86_64.rpm 3.0 MB/s | 322 kB 00:00
(89/137): libssh-config-0.10.4-2.fc38.noarch.rp 407 kB/s | 8.8 kB 00:00
(90/137): libtirpc-1.3.3-0.fc37.x86_64.rpm 3.9 MB/s | 93 kB 00:00
(91/137): libtasn1-4.19.0-1.fc38.x86_64.rpm 1.9 MB/s | 75 kB 00:00
(92/137): libunistring-1.0-2.fc37.x86_64.rpm 14 MB/s | 549 kB 00:00
(93/137): libuuid-2.38.1-3.fc38.x86_64.rpm 959 kB/s | 27 kB 00:00
(94/137): libverto-0.3.2-4.fc37.x86_64.rpm 792 kB/s | 21 kB 00:00
(95/137): libyaml-0.2.5-8.fc37.x86_64.rpm 1.8 MB/s | 60 kB 00:00
(96/137): libxcrypt-4.4.33-5.fc38.x86_64.rpm 2.0 MB/s | 120 kB 00:00
(97/137): lua-libs-5.4.4-7.fc38.x86_64.rpm 2.2 MB/s | 131 kB 00:00
(98/137): libzstd-1.5.2-3.fc37.x86_64.rpm 4.6 MB/s | 294 kB 00:00
(99/137): lz4-libs-1.9.4-1.fc38.x86_64.rpm 1.8 MB/s | 67 kB 00:00
(100/137): mpdecimal-2.5.1-4.fc37.x86_64.rpm 1.1 MB/s | 102 kB 00:00
(101/137): ncurses-base-6.4-2.20230114.fc38.noa 1.2 MB/s | 87 kB 00:00
(102/137): mpfr-4.1.1-2.fc38.x86_64.rpm 3.8 MB/s | 598 kB 00:00
(103/137): libstdc++-13.0.1-0.1.fc38.x86_64.rpm 1.8 MB/s | 844 kB 00:00
(104/137): nettle-3.8-2.fc37.x86_64.rpm 4.7 MB/s | 414 kB 00:00
(105/137): npth-1.6-10.fc38.x86_64.rpm 914 kB/s | 24 kB 00:00
(106/137): ncurses-libs-6.4-2.20230114.fc38.x86 2.2 MB/s | 333 kB 00:00
(107/137): openldap-2.6.3-1.fc38.x86_64.rpm 4.6 MB/s | 254 kB 00:00
(108/137): p11-kit-trust-0.24.1-5.fc38.x86_64.r 3.5 MB/s | 137 kB 00:00
(109/137): pcre2-10.42-1.fc38.x86_64.rpm 4.6 MB/s | 234 kB 00:00
(110/137): p11-kit-0.24.1-5.fc38.x86_64.rpm 3.2 MB/s | 376 kB 00:00
(111/137): pcre2-syntax-10.42-1.fc38.noarch.rpm 3.6 MB/s | 144 kB 00:00
(112/137): popt-1.19-1.fc38.x86_64.rpm 1.8 MB/s | 66 kB 00:00
(113/137): publicsuffix-list-dafsa-20221208-1.f 2.0 MB/s | 59 kB 00:00
(114/137): openssl-libs-3.0.7-3.fc38.x86_64.rpm 8.1 MB/s | 2.1 MB 00:00
(115/137): python3-dateutil-2.8.2-4.fc37.noarch 7.7 MB/s | 361 kB 00:00
(116/137): python-setuptools-wheel-65.5.1-1.fc3 6.7 MB/s | 715 kB 00:00
(117/137): python3-distro-1.8.0-1.fc38.noarch.r 2.0 MB/s | 49 kB 00:00
(118/137): python3-rpm-4.18.0-9.fc38.x86_64.rpm 2.7 MB/s | 73 kB 00:00
(119/137): python3-gpg-1.17.1-3.fc38.x86_64.rpm 5.6 MB/s | 296 kB 00:00
(120/137): python3-six-1.16.0-8.fc37.noarch.rpm 1.8 MB/s | 42 kB 00:00
(121/137): readline-8.2-2.fc38.x86_64.rpm 4.9 MB/s | 211 kB 00:00
(122/137): rpm-build-libs-4.18.0-9.fc38.x86_64. 3.1 MB/s | 95 kB 00:00
(123/137): rpm-4.18.0-9.fc38.x86_64.rpm 9.8 MB/s | 569 kB 00:00
(124/137): python-pip-wheel-22.3.1-1.fc38.noarc 4.9 MB/s | 1.4 MB 00:00
(125/137): rpm-libs-4.18.0-9.fc38.x86_64.rpm 6.0 MB/s | 312 kB 00:00
(126/137): rpm-sign-libs-4.18.0-9.fc38.x86_64.r 1.1 MB/s | 27 kB 00:00
(127/137): rpm-sequoia-1.2.0-1.fc38.x86_64.rpm 12 MB/s | 829 kB 00:00
(128/137): sed-4.8-11.fc37.x86_64.rpm 6.1 MB/s | 306 kB 00:00
(129/137): setup-2.14.3-1.fc38.noarch.rpm 3.7 MB/s | 152 kB 00:00
(130/137): shadow-utils-4.13-3.fc38.x86_64.rpm 16 MB/s | 1.3 MB 00:00
(131/137): systemd-libs-252.4-598.fc38.x86_64.r 8.5 MB/s | 632 kB 00:00
(132/137): sqlite-libs-3.40.1-1.fc38.x86_64.rpm 7.1 MB/s | 661 kB 00:00
(133/137): tpm2-tss-4.0.0-1.fc38.x86_64.rpm 14 MB/s | 711 kB 00:00
(134/137): zchunk-libs-1.2.3-1.fc38.x86_64.rpm 2.2 MB/s | 51 kB 00:00
(135/137): xz-libs-5.2.9-1.fc38.x86_64.rpm 3.1 MB/s | 93 kB 00:00
(136/137): zlib-1.2.13-2.fc38.x86_64.rpm 3.8 MB/s | 94 kB 00:00
(137/137): tzdata-2022g-1.fc38.noarch.rpm 10 MB/s | 716 kB 00:00
--------------------------------------------------------------------------------
Total 17 MB/s | 56 MB 00:03
fedora 1.6 MB/s | 1.6 kB 00:00
Importing GPG key 0xEB10B464:
Userid : "Fedora (38) <fedora-38-primary@fedoraproject.org>"
Fingerprint: 6A51 BBAB BA3D 5467 B617 1221 809A 8D7C EB10 B464
From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary
Key imported successfully
fedora 1.6 MB/s | 1.6 kB 00:00
GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary (0xEB10B464) is already installed
fedora 1.6 MB/s | 1.6 kB 00:00
Importing GPG key 0x5323552A:
Userid : "Fedora (37) <fedora-37-primary@fedoraproject.org>"
Fingerprint: ACB5 EE4E 831C 74BB 7C16 8D27 F55A D3FB 5323 552A
From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-37-primary
Key imported successfully
Running transaction check
Transaction check succeeded.
Running transaction test
Transaction test succeeded.
Running transaction
Running scriptlet: filesystem-3.18-2.fc37.x86_64 1/1
Preparing : 1/1
Installing : libgcc-13.0.1-0.1.fc38.x86_64 1/137
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Installing : crypto-policies-20221215-2.gita4c31a3.fc38.noarc 3/137
Running scriptlet: crypto-policies-20221215-2.gita4c31a3.fc38.noarc 3/137
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Installing : python-setuptools-wheel-65.5.1-1.fc38.noarch 5/137
Installing : publicsuffix-list-dafsa-20221208-1.fc38.noarch 6/137
Installing : pcre2-syntax-10.42-1.fc38.noarch 7/137
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Installing : libssh-config-0.10.4-2.fc38.noarch 9/137
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Installing : fedora-release-38-0.15.noarch 11/137
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Installing : fedora-repos-38-0.3.noarch 14/137
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Installing : filesystem-3.18-2.fc37.x86_64 16/137
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Installing : glibc-minimal-langpack-2.36.9000-23.fc38.x86_64 18/137
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Installing : bash-5.2.15-1.fc38.x86_64 22/137
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Installing : libzstd-1.5.2-3.fc37.x86_64 26/137
Installing : sqlite-libs-3.40.1-1.fc38.x86_64 27/137
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Installing : libxml2-2.10.3-3.fc38.x86_64 32/137
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useradd: Warning: missing or non-executable shell '/usr/sbin/nologin'
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warning: /etc/dnf/dnf.conf created as /etc/dnf/dnf.conf.rpmnew
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Running scriptlet: rpm-4.18.0-9.fc38.x86_64 137/137
Installing : rpm-4.18.0-9.fc38.x86_64 137/137
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Verifying : libreport-filesystem-2.17.6-2.fc38.noarch 24/137
Verifying : libsolv-0.7.22-4.fc38.x86_64 25/137
Verifying : libxml2-2.10.3-3.fc38.x86_64 26/137
Verifying : python3-3.11.1-3.fc38.x86_64 27/137
Verifying : python3-dbus-1.3.2-2.fc38.x86_64 28/137
Verifying : python3-dnf-4.14.0-2.fc38.noarch 29/137
Verifying : python3-dnf-plugins-core-4.3.1-2.fc38.noarch 30/137
Verifying : python3-hawkey-0.68.0-2.fc38.x86_64 31/137
Verifying : python3-libcomps-0.1.18-5.fc38.x86_64 32/137
Verifying : python3-libdnf-0.68.0-2.fc38.x86_64 33/137
Verifying : python3-libs-3.11.1-3.fc38.x86_64 34/137
Verifying : alternatives-1.21-1.fc38.x86_64 35/137
Verifying : basesystem-11-14.fc37.noarch 36/137
Verifying : bash-5.2.15-1.fc38.x86_64 37/137
Verifying : bzip2-libs-1.0.8-12.fc37.x86_64 38/137
Verifying : ca-certificates-2022.2.54-5.fc37.noarch 39/137
Verifying : coreutils-9.1-10.fc38.x86_64 40/137
Verifying : coreutils-common-9.1-10.fc38.x86_64 41/137
Verifying : cyrus-sasl-lib-2.1.28-8.fc38.x86_64 42/137
Verifying : dbus-libs-1:1.14.4-1.fc38.x86_64 43/137
Verifying : elfutils-default-yama-scope-0.188-3.fc38.noarch 44/137
Verifying : elfutils-libelf-0.188-3.fc38.x86_64 45/137
Verifying : elfutils-libs-0.188-3.fc38.x86_64 46/137
Verifying : expat-2.5.0-1.fc38.x86_64 47/137
Verifying : fedora-gpg-keys-38-0.3.noarch 48/137
Verifying : fedora-release-38-0.15.noarch 49/137
Verifying : fedora-release-common-38-0.15.noarch 50/137
Verifying : fedora-release-identity-basic-38-0.15.noarch 51/137
Verifying : fedora-repos-38-0.3.noarch 52/137
Verifying : fedora-repos-rawhide-38-0.3.noarch 53/137
Verifying : filesystem-3.18-2.fc37.x86_64 54/137
Verifying : findutils-1:4.9.0-2.fc37.x86_64 55/137
Verifying : gawk-5.1.1-4.fc37.x86_64 56/137
Verifying : gdbm-libs-1:1.23-2.fc37.x86_64 57/137
Verifying : gmp-1:6.2.1-3.fc37.x86_64 58/137
Verifying : gnupg2-2.4.0-1.fc38.x86_64 59/137
Verifying : gpgme-1.17.1-3.fc38.x86_64 60/137
Verifying : grep-3.8-2.fc38.x86_64 61/137
Verifying : ima-evm-utils-1.4-6.fc37.x86_64 62/137
Verifying : json-c-0.16-3.fc38.x86_64 63/137
Verifying : keyutils-libs-1.6.1-5.fc37.x86_64 64/137
Verifying : libacl-2.3.1-4.fc37.x86_64 65/137
Verifying : libarchive-3.6.1-3.fc38.x86_64 66/137
Verifying : libassuan-2.5.5-5.fc37.x86_64 67/137
Verifying : libattr-2.5.1-5.fc37.x86_64 68/137
Verifying : libb2-0.98.1-7.fc37.x86_64 69/137
Verifying : libblkid-2.38.1-3.fc38.x86_64 70/137
Verifying : libcap-2.48-5.fc37.x86_64 71/137
Verifying : libcom_err-1.46.5-3.fc37.x86_64 72/137
Verifying : libffi-3.4.4-1.fc38.x86_64 73/137
Verifying : libfsverity-1.4-8.fc37.x86_64 74/137
Verifying : libgcc-13.0.1-0.1.fc38.x86_64 75/137
Verifying : libgcrypt-1.10.1-6.fc38.x86_64 76/137
Verifying : libgomp-13.0.1-0.1.fc38.x86_64 77/137
Verifying : libgpg-error-1.46-1.fc38.x86_64 78/137
Verifying : libidn2-2.3.4-1.fc38.x86_64 79/137
Verifying : libksba-1.6.3-1.fc38.x86_64 80/137
Verifying : libmount-2.38.1-3.fc38.x86_64 81/137
Verifying : libnsl2-2.0.0-4.fc37.x86_64 82/137
Verifying : libselinux-3.5-0.rc1.1.fc38.1.x86_64 83/137
Verifying : libsemanage-3.5-0.rc1.1.fc38.x86_64 84/137
Verifying : libsepol-3.5-0.rc1.1.fc38.x86_64 85/137
Verifying : libsigsegv-2.14-3.fc37.x86_64 86/137
Verifying : libsmartcols-2.38.1-3.fc38.x86_64 87/137
Verifying : libssh-0.10.4-2.fc38.x86_64 88/137
Verifying : libssh-config-0.10.4-2.fc38.noarch 89/137
Verifying : libstdc++-13.0.1-0.1.fc38.x86_64 90/137
Verifying : libtasn1-4.19.0-1.fc38.x86_64 91/137
Verifying : libtirpc-1.3.3-0.fc37.x86_64 92/137
Verifying : libunistring-1.0-2.fc37.x86_64 93/137
Verifying : libuuid-2.38.1-3.fc38.x86_64 94/137
Verifying : libverto-0.3.2-4.fc37.x86_64 95/137
Verifying : libxcrypt-4.4.33-5.fc38.x86_64 96/137
Verifying : libyaml-0.2.5-8.fc37.x86_64 97/137
Verifying : libzstd-1.5.2-3.fc37.x86_64 98/137
Verifying : lua-libs-5.4.4-7.fc38.x86_64 99/137
Verifying : lz4-libs-1.9.4-1.fc38.x86_64 100/137
Verifying : mpdecimal-2.5.1-4.fc37.x86_64 101/137
Verifying : mpfr-4.1.1-2.fc38.x86_64 102/137
Verifying : ncurses-base-6.4-2.20230114.fc38.noarch 103/137
Verifying : ncurses-libs-6.4-2.20230114.fc38.x86_64 104/137
Verifying : nettle-3.8-2.fc37.x86_64 105/137
Verifying : npth-1.6-10.fc38.x86_64 106/137
Verifying : openldap-2.6.3-1.fc38.x86_64 107/137
Verifying : openssl-libs-1:3.0.7-3.fc38.x86_64 108/137
Verifying : p11-kit-0.24.1-5.fc38.x86_64 109/137
Verifying : p11-kit-trust-0.24.1-5.fc38.x86_64 110/137
Verifying : pcre2-10.42-1.fc38.x86_64 111/137
Verifying : pcre2-syntax-10.42-1.fc38.noarch 112/137
Verifying : popt-1.19-1.fc38.x86_64 113/137
Verifying : publicsuffix-list-dafsa-20221208-1.fc38.noarch 114/137
Verifying : python-pip-wheel-22.3.1-1.fc38.noarch 115/137
Verifying : python-setuptools-wheel-65.5.1-1.fc38.noarch 116/137
Verifying : python3-dateutil-1:2.8.2-4.fc37.noarch 117/137
Verifying : python3-distro-1.8.0-1.fc38.noarch 118/137
Verifying : python3-gpg-1.17.1-3.fc38.x86_64 119/137
Verifying : python3-rpm-4.18.0-9.fc38.x86_64 120/137
Verifying : python3-six-1.16.0-8.fc37.noarch 121/137
Verifying : readline-8.2-2.fc38.x86_64 122/137
Verifying : rpm-4.18.0-9.fc38.x86_64 123/137
Verifying : rpm-build-libs-4.18.0-9.fc38.x86_64 124/137
Verifying : rpm-libs-4.18.0-9.fc38.x86_64 125/137
Verifying : rpm-sequoia-1.2.0-1.fc38.x86_64 126/137
Verifying : rpm-sign-libs-4.18.0-9.fc38.x86_64 127/137
Verifying : sed-4.8-11.fc37.x86_64 128/137
Verifying : setup-2.14.3-1.fc38.noarch 129/137
Verifying : shadow-utils-2:4.13-3.fc38.x86_64 130/137
Verifying : sqlite-libs-3.40.1-1.fc38.x86_64 131/137
Verifying : systemd-libs-252.4-598.fc38.x86_64 132/137
Verifying : tpm2-tss-4.0.0-1.fc38.x86_64 133/137
Verifying : tzdata-2022g-1.fc38.noarch 134/137
Verifying : xz-libs-5.2.9-1.fc38.x86_64 135/137
Verifying : zchunk-libs-1.2.3-1.fc38.x86_64 136/137
Verifying : zlib-1.2.13-2.fc38.x86_64 137/137
Installed products updated.
Installed:
alternatives-1.21-1.fc38.x86_64
audit-libs-3.0.9-3.fc38.x86_64
basesystem-11-14.fc37.noarch
bash-5.2.15-1.fc38.x86_64
bzip2-libs-1.0.8-12.fc37.x86_64
ca-certificates-2022.2.54-5.fc37.noarch
coreutils-9.1-10.fc38.x86_64
coreutils-common-9.1-10.fc38.x86_64
crypto-policies-20221215-2.gita4c31a3.fc38.noarch
curl-7.87.0-3.fc38.x86_64
cyrus-sasl-lib-2.1.28-8.fc38.x86_64
dbus-libs-1:1.14.4-1.fc38.x86_64
dnf-4.14.0-2.fc38.noarch
dnf-data-4.14.0-2.fc38.noarch
dnf-plugins-core-4.3.1-2.fc38.noarch
elfutils-default-yama-scope-0.188-3.fc38.noarch
elfutils-libelf-0.188-3.fc38.x86_64
elfutils-libs-0.188-3.fc38.x86_64
expat-2.5.0-1.fc38.x86_64
fedora-gpg-keys-38-0.3.noarch
fedora-release-38-0.15.noarch
fedora-release-common-38-0.15.noarch
fedora-release-identity-basic-38-0.15.noarch
fedora-repos-38-0.3.noarch
fedora-repos-rawhide-38-0.3.noarch
file-libs-5.42-5.fc38.x86_64
filesystem-3.18-2.fc37.x86_64
findutils-1:4.9.0-2.fc37.x86_64
gawk-5.1.1-4.fc37.x86_64
gdbm-libs-1:1.23-2.fc37.x86_64
glib2-2.74.1-3.fc38.x86_64
glibc-2.36.9000-23.fc38.x86_64
glibc-common-2.36.9000-23.fc38.x86_64
glibc-minimal-langpack-2.36.9000-23.fc38.x86_64
gmp-1:6.2.1-3.fc37.x86_64
gnupg2-2.4.0-1.fc38.x86_64
gnutls-3.7.8-11.fc38.x86_64
gpgme-1.17.1-3.fc38.x86_64
grep-3.8-2.fc38.x86_64
ima-evm-utils-1.4-6.fc37.x86_64
json-c-0.16-3.fc38.x86_64
keyutils-libs-1.6.1-5.fc37.x86_64
krb5-libs-1.20.1-7.fc38.x86_64
libacl-2.3.1-4.fc37.x86_64
libarchive-3.6.1-3.fc38.x86_64
libassuan-2.5.5-5.fc37.x86_64
libattr-2.5.1-5.fc37.x86_64
libb2-0.98.1-7.fc37.x86_64
libblkid-2.38.1-3.fc38.x86_64
libbrotli-1.0.9-11.fc38.x86_64
libcap-2.48-5.fc37.x86_64
libcap-ng-0.8.3-5.fc38.x86_64
libcom_err-1.46.5-3.fc37.x86_64
libcomps-0.1.18-5.fc38.x86_64
libcurl-7.87.0-3.fc38.x86_64
libdnf-0.68.0-2.fc38.x86_64
libevent-2.1.12-8.fc38.x86_64
libffi-3.4.4-1.fc38.x86_64
libfsverity-1.4-8.fc37.x86_64
libgcc-13.0.1-0.1.fc38.x86_64
libgcrypt-1.10.1-6.fc38.x86_64
libgomp-13.0.1-0.1.fc38.x86_64
libgpg-error-1.46-1.fc38.x86_64
libidn2-2.3.4-1.fc38.x86_64
libksba-1.6.3-1.fc38.x86_64
libmodulemd-2.14.0-5.fc38.x86_64
libmount-2.38.1-3.fc38.x86_64
libnghttp2-1.51.0-2.fc38.x86_64
libnsl2-2.0.0-4.fc37.x86_64
libpsl-0.21.2-2.fc38.x86_64
librepo-1.15.1-2.fc38.x86_64
libreport-filesystem-2.17.6-2.fc38.noarch
libselinux-3.5-0.rc1.1.fc38.1.x86_64
libsemanage-3.5-0.rc1.1.fc38.x86_64
libsepol-3.5-0.rc1.1.fc38.x86_64
libsigsegv-2.14-3.fc37.x86_64
libsmartcols-2.38.1-3.fc38.x86_64
libsolv-0.7.22-4.fc38.x86_64
libssh-0.10.4-2.fc38.x86_64
libssh-config-0.10.4-2.fc38.noarch
libstdc++-13.0.1-0.1.fc38.x86_64
libtasn1-4.19.0-1.fc38.x86_64
libtirpc-1.3.3-0.fc37.x86_64
libunistring-1.0-2.fc37.x86_64
libuuid-2.38.1-3.fc38.x86_64
libverto-0.3.2-4.fc37.x86_64
libxcrypt-4.4.33-5.fc38.x86_64
libxml2-2.10.3-3.fc38.x86_64
libyaml-0.2.5-8.fc37.x86_64
libzstd-1.5.2-3.fc37.x86_64
lua-libs-5.4.4-7.fc38.x86_64
lz4-libs-1.9.4-1.fc38.x86_64
mpdecimal-2.5.1-4.fc37.x86_64
mpfr-4.1.1-2.fc38.x86_64
ncurses-base-6.4-2.20230114.fc38.noarch
ncurses-libs-6.4-2.20230114.fc38.x86_64
nettle-3.8-2.fc37.x86_64
npth-1.6-10.fc38.x86_64
openldap-2.6.3-1.fc38.x86_64
openssl-libs-1:3.0.7-3.fc38.x86_64
p11-kit-0.24.1-5.fc38.x86_64
p11-kit-trust-0.24.1-5.fc38.x86_64
pcre2-10.42-1.fc38.x86_64
pcre2-syntax-10.42-1.fc38.noarch
popt-1.19-1.fc38.x86_64
publicsuffix-list-dafsa-20221208-1.fc38.noarch
python-pip-wheel-22.3.1-1.fc38.noarch
python-setuptools-wheel-65.5.1-1.fc38.noarch
python3-3.11.1-3.fc38.x86_64
python3-dateutil-1:2.8.2-4.fc37.noarch
python3-dbus-1.3.2-2.fc38.x86_64
python3-distro-1.8.0-1.fc38.noarch
python3-dnf-4.14.0-2.fc38.noarch
python3-dnf-plugins-core-4.3.1-2.fc38.noarch
python3-gpg-1.17.1-3.fc38.x86_64
python3-hawkey-0.68.0-2.fc38.x86_64
python3-libcomps-0.1.18-5.fc38.x86_64
python3-libdnf-0.68.0-2.fc38.x86_64
python3-libs-3.11.1-3.fc38.x86_64
python3-rpm-4.18.0-9.fc38.x86_64
python3-six-1.16.0-8.fc37.noarch
readline-8.2-2.fc38.x86_64
rpm-4.18.0-9.fc38.x86_64
rpm-build-libs-4.18.0-9.fc38.x86_64
rpm-libs-4.18.0-9.fc38.x86_64
rpm-sequoia-1.2.0-1.fc38.x86_64
rpm-sign-libs-4.18.0-9.fc38.x86_64
sed-4.8-11.fc37.x86_64
setup-2.14.3-1.fc38.noarch
shadow-utils-2:4.13-3.fc38.x86_64
sqlite-libs-3.40.1-1.fc38.x86_64
systemd-libs-252.4-598.fc38.x86_64
tpm2-tss-4.0.0-1.fc38.x86_64
tzdata-2022g-1.fc38.noarch
xz-libs-5.2.9-1.fc38.x86_64
zchunk-libs-1.2.3-1.fc38.x86_64
zlib-1.2.13-2.fc38.x86_64
Complete!
Finish(bootstrap): dnf install
Start(bootstrap): creating root cache
Finish(bootstrap): creating root cache
Finish(bootstrap): chroot init
Start: chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start: cleaning package manager metadata
Finish: cleaning package manager metadata
INFO: enabled HW Info plugin
Mock Version: 3.5
INFO: Mock Version: 3.5
Start: dnf install
No matches found for the following disable plugin patterns: local, spacewalk, versionlock
Copr repository 14 kB/s | 3.7 kB 00:00
Copr repository 16 MB/s | 12 MB 00:00
fedora 54 kB/s | 13 kB 00:00
Last metadata expiration check: 0:00:01 ago on Sat Jan 21 10:40:19 2023.
Dependencies resolved.
================================================================================
Package Arch Version Repo Size
================================================================================
Installing group/module packages:
bash x86_64 5.2.15-1.fc38 fedora 1.8 M
bzip2 x86_64 1.0.8-12.fc37 fedora 52 k
coreutils x86_64 9.1-10.fc38 fedora 1.1 M
cpio x86_64 2.13-13.fc38 fedora 276 k
diffutils x86_64 3.9-1.fc38 fedora 397 k
fedora-release-common noarch 38-0.15 fedora 21 k
findutils x86_64 1:4.9.0-2.fc37 fedora 492 k
gawk x86_64 5.1.1-4.fc37 fedora 1.0 M
glibc-minimal-langpack x86_64 2.36.9000-23.fc38 copr_base 34 k
grep x86_64 3.8-2.fc38 fedora 292 k
gzip x86_64 1.12-2.fc37 fedora 166 k
info x86_64 7.0.1-1.fc38 fedora 181 k
patch x86_64 2.7.6-17.fc37 fedora 124 k
redhat-rpm-config noarch 245-1.fc38 fedora 82 k
rpm-build x86_64 4.18.0-9.fc38 fedora 77 k
sed x86_64 4.8-11.fc37 fedora 306 k
shadow-utils x86_64 2:4.13-3.fc38 fedora 1.3 M
tar x86_64 2:1.34-5.fc38 fedora 885 k
unzip x86_64 6.0-58.fc38 fedora 182 k
util-linux x86_64 2.38.1-3.fc38 fedora 2.3 M
which x86_64 2.21-36.fc38 fedora 41 k
xz x86_64 5.2.9-1.fc38 fedora 306 k
Installing dependencies:
alternatives x86_64 1.21-1.fc38 fedora 38 k
ansible-srpm-macros noarch 1-8.1.fc38 fedora 8.6 k
audit-libs x86_64 3.0.9-3.fc38 copr_base 117 k
authselect x86_64 1.4.2-1.fc38 fedora 144 k
authselect-libs x86_64 1.4.2-1.fc38 fedora 250 k
basesystem noarch 11-14.fc37 fedora 7.0 k
binutils x86_64 2.39-6.fc38 fedora 5.5 M
binutils-gold x86_64 2.39-6.fc38 fedora 777 k
bzip2-libs x86_64 1.0.8-12.fc37 fedora 41 k
ca-certificates noarch 2022.2.54-5.fc37 fedora 829 k
coreutils-common x86_64 9.1-10.fc38 fedora 2.0 M
cracklib x86_64 2.9.7-30.fc38 fedora 92 k
crypto-policies noarch 20221215-2.gita4c31a3.fc38 copr_base 64 k
curl x86_64 7.87.0-3.fc38 copr_base 347 k
cyrus-sasl-lib x86_64 2.1.28-8.fc38 fedora 792 k
debugedit x86_64 5.0-5.fc37 fedora 77 k
dwz x86_64 0.15-1.fc38 fedora 136 k
ed x86_64 1.19-1.fc38 fedora 78 k
efi-srpm-macros noarch 5-6.fc37 fedora 22 k
elfutils x86_64 0.188-3.fc38 fedora 529 k
elfutils-debuginfod-client x86_64 0.188-3.fc38 fedora 40 k
elfutils-default-yama-scope noarch 0.188-3.fc38 fedora 15 k
elfutils-libelf x86_64 0.188-3.fc38 fedora 196 k
elfutils-libs x86_64 0.188-3.fc38 fedora 257 k
fedora-gpg-keys noarch 38-0.3 fedora 125 k
fedora-release noarch 38-0.15 fedora 11 k
fedora-release-identity-basic
noarch 38-0.15 fedora 12 k
fedora-repos noarch 38-0.3 fedora 10 k
fedora-repos-rawhide noarch 38-0.3 fedora 9.7 k
file x86_64 5.42-5.fc38 copr_base 49 k
file-libs x86_64 5.42-5.fc38 copr_base 676 k
filesystem x86_64 3.18-2.fc37 fedora 1.1 M
fonts-srpm-macros noarch 1:2.0.5-10.fc38 fedora 26 k
fpc-srpm-macros noarch 1.3-6.fc37 fedora 7.7 k
gdb-minimal x86_64 12.1-10.fc38 fedora 3.7 M
gdbm-libs x86_64 1:1.23-2.fc37 fedora 56 k
ghc-srpm-macros noarch 1.5.0-7.fc37 fedora 7.8 k
glibc x86_64 2.36.9000-23.fc38 copr_base 2.1 M
glibc-common x86_64 2.36.9000-23.fc38 copr_base 307 k
glibc-gconv-extra x86_64 2.36.9000-23.fc38 copr_base 1.5 M
gmp x86_64 1:6.2.1-3.fc37 fedora 315 k
gnat-srpm-macros noarch 5-1.fc38 fedora 8.4 k
go-srpm-macros noarch 3.2.0-1.fc38 fedora 27 k
jansson x86_64 2.13.1-6.fc38 copr_base 45 k
kernel-srpm-macros noarch 1.0-15.fc37 fedora 9.4 k
keyutils-libs x86_64 1.6.1-5.fc37 fedora 31 k
krb5-libs x86_64 1.20.1-7.fc38 copr_base 722 k
libacl x86_64 2.3.1-4.fc37 fedora 23 k
libarchive x86_64 3.6.1-3.fc38 fedora 397 k
libattr x86_64 2.5.1-5.fc37 fedora 18 k
libblkid x86_64 2.38.1-3.fc38 fedora 106 k
libbrotli x86_64 1.0.9-11.fc38 copr_base 317 k
libcap x86_64 2.48-5.fc37 fedora 67 k
libcap-ng x86_64 0.8.3-5.fc38 copr_base 33 k
libcom_err x86_64 1.46.5-3.fc37 fedora 25 k
libcurl x86_64 7.87.0-3.fc38 copr_base 304 k
libdb x86_64 5.3.28-54.fc38 fedora 764 k
libeconf x86_64 0.4.0-4.fc37 fedora 27 k
libevent x86_64 2.1.12-8.fc38 copr_base 258 k
libfdisk x86_64 2.38.1-3.fc38 fedora 160 k
libffi x86_64 3.4.4-1.fc38 fedora 38 k
libgcc x86_64 13.0.1-0.1.fc38 fedora 93 k
libgomp x86_64 13.0.1-0.1.fc38 fedora 300 k
libidn2 x86_64 2.3.4-1.fc38 fedora 160 k
libmount x86_64 2.38.1-3.fc38 fedora 135 k
libnghttp2 x86_64 1.51.0-2.fc38 copr_base 76 k
libnsl2 x86_64 2.0.0-4.fc37 fedora 30 k
libpkgconf x86_64 1.8.0-3.fc37 fedora 36 k
libpsl x86_64 0.21.2-2.fc38 copr_base 66 k
libpwquality x86_64 1.4.5-2.fc38 copr_base 108 k
libselinux x86_64 3.5-0.rc1.1.fc38.1 fedora 86 k
libsemanage x86_64 3.5-0.rc1.1.fc38 fedora 119 k
libsepol x86_64 3.5-0.rc1.1.fc38 fedora 322 k
libsigsegv x86_64 2.14-3.fc37 fedora 27 k
libsmartcols x86_64 2.38.1-3.fc38 fedora 64 k
libssh x86_64 0.10.4-2.fc38 fedora 209 k
libssh-config noarch 0.10.4-2.fc38 fedora 8.8 k
libstdc++ x86_64 13.0.1-0.1.fc38 fedora 844 k
libtasn1 x86_64 4.19.0-1.fc38 fedora 75 k
libtirpc x86_64 1.3.3-0.fc37 fedora 93 k
libunistring x86_64 1.0-2.fc37 fedora 549 k
libutempter x86_64 1.2.1-7.fc37 fedora 26 k
libuuid x86_64 2.38.1-3.fc38 fedora 27 k
libverto x86_64 0.3.2-4.fc37 fedora 21 k
libxcrypt x86_64 4.4.33-5.fc38 fedora 120 k
libxml2 x86_64 2.10.3-3.fc38 copr_base 701 k
libzstd x86_64 1.5.2-3.fc37 fedora 294 k
lua-libs x86_64 5.4.4-7.fc38 fedora 131 k
lua-srpm-macros noarch 1-7.fc37 fedora 8.8 k
lz4-libs x86_64 1.9.4-1.fc38 fedora 67 k
mpfr x86_64 4.1.1-2.fc38 fedora 598 k
ncurses-base noarch 6.4-2.20230114.fc38 fedora 87 k
ncurses-libs x86_64 6.4-2.20230114.fc38 fedora 333 k
nettle x86_64 3.8-2.fc37 fedora 414 k
nim-srpm-macros noarch 3-7.fc37 fedora 8.4 k
ocaml-srpm-macros noarch 7-2.fc37 fedora 13 k
openblas-srpm-macros noarch 2-12.fc37 fedora 7.5 k
openldap x86_64 2.6.3-1.fc38 fedora 254 k
openssl-libs x86_64 1:3.0.7-3.fc38 fedora 2.1 M
p11-kit x86_64 0.24.1-5.fc38 fedora 376 k
p11-kit-trust x86_64 0.24.1-5.fc38 fedora 137 k
package-notes-srpm-macros noarch 0.5-6.fc38 fedora 11 k
pam x86_64 1.5.2-15.fc38 fedora 559 k
pam-libs x86_64 1.5.2-15.fc38 fedora 57 k
pcre2 x86_64 10.42-1.fc38 fedora 234 k
pcre2-syntax noarch 10.42-1.fc38 fedora 144 k
perl-srpm-macros noarch 1-47.fc38 fedora 8.2 k
pkgconf x86_64 1.8.0-3.fc37 fedora 41 k
pkgconf-m4 noarch 1.8.0-3.fc37 fedora 14 k
pkgconf-pkg-config x86_64 1.8.0-3.fc37 fedora 10 k
popt x86_64 1.19-1.fc38 fedora 66 k
publicsuffix-list-dafsa noarch 20221208-1.fc38 fedora 59 k
python-srpm-macros noarch 3.11-7.fc38 fedora 26 k
qt5-srpm-macros noarch 5.15.8-1.fc38 fedora 8.0 k
readline x86_64 8.2-2.fc38 fedora 211 k
rpm x86_64 4.18.0-9.fc38 fedora 569 k
rpm-build-libs x86_64 4.18.0-9.fc38 fedora 95 k
rpm-libs x86_64 4.18.0-9.fc38 fedora 312 k
rpm-sequoia x86_64 1.2.0-1.fc38 fedora 829 k
rpmautospec-rpm-macros noarch 0.3.1-1.fc38 fedora 8.8 k
rust-srpm-macros noarch 23-1.fc38 fedora 9.4 k
setup noarch 2.14.3-1.fc38 fedora 152 k
sqlite-libs x86_64 3.40.1-1.fc38 fedora 661 k
systemd-libs x86_64 252.4-598.fc38 fedora 632 k
tzdata noarch 2022g-1.fc38 fedora 716 k
util-linux-core x86_64 2.38.1-3.fc38 fedora 470 k
xxhash-libs x86_64 0.8.1-3.fc37 fedora 41 k
xz-libs x86_64 5.2.9-1.fc38 fedora 93 k
zip x86_64 3.0-35.fc38 fedora 259 k
zlib x86_64 1.2.13-2.fc38 fedora 94 k
zstd x86_64 1.5.2-3.fc37 fedora 447 k
Installing Groups:
Buildsystem building group
Transaction Summary
================================================================================
Install 153 Packages
Total size: 52 M
Installed size: 181 M
Downloading Packages:
[SKIPPED] audit-libs-3.0.9-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] crypto-policies-20221215-2.gita4c31a3.fc38.noarch.rpm: Already downloaded
[SKIPPED] curl-7.87.0-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] file-5.42-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] file-libs-5.42-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] glibc-2.36.9000-23.fc38.x86_64.rpm: Already downloaded
[SKIPPED] glibc-common-2.36.9000-23.fc38.x86_64.rpm: Already downloaded
[SKIPPED] glibc-gconv-extra-2.36.9000-23.fc38.x86_64.rpm: Already downloaded
[SKIPPED] glibc-minimal-langpack-2.36.9000-23.fc38.x86_64.rpm: Already downloaded
[SKIPPED] jansson-2.13.1-6.fc38.x86_64.rpm: Already downloaded
[SKIPPED] krb5-libs-1.20.1-7.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libbrotli-1.0.9-11.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libcap-ng-0.8.3-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libcurl-7.87.0-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libevent-2.1.12-8.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libnghttp2-1.51.0-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libpsl-0.21.2-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libpwquality-1.4.5-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libxml2-2.10.3-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] alternatives-1.21-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] ansible-srpm-macros-1-8.1.fc38.noarch.rpm: Already downloaded
[SKIPPED] authselect-1.4.2-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] authselect-libs-1.4.2-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] basesystem-11-14.fc37.noarch.rpm: Already downloaded
[SKIPPED] bash-5.2.15-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] binutils-2.39-6.fc38.x86_64.rpm: Already downloaded
[SKIPPED] binutils-gold-2.39-6.fc38.x86_64.rpm: Already downloaded
[SKIPPED] bzip2-1.0.8-12.fc37.x86_64.rpm: Already downloaded
[SKIPPED] bzip2-libs-1.0.8-12.fc37.x86_64.rpm: Already downloaded
[SKIPPED] ca-certificates-2022.2.54-5.fc37.noarch.rpm: Already downloaded
[SKIPPED] coreutils-9.1-10.fc38.x86_64.rpm: Already downloaded
[SKIPPED] coreutils-common-9.1-10.fc38.x86_64.rpm: Already downloaded
[SKIPPED] cpio-2.13-13.fc38.x86_64.rpm: Already downloaded
[SKIPPED] cracklib-2.9.7-30.fc38.x86_64.rpm: Already downloaded
[SKIPPED] cyrus-sasl-lib-2.1.28-8.fc38.x86_64.rpm: Already downloaded
[SKIPPED] debugedit-5.0-5.fc37.x86_64.rpm: Already downloaded
[SKIPPED] diffutils-3.9-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] dwz-0.15-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] ed-1.19-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] efi-srpm-macros-5-6.fc37.noarch.rpm: Already downloaded
[SKIPPED] elfutils-0.188-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] elfutils-debuginfod-client-0.188-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] elfutils-default-yama-scope-0.188-3.fc38.noarch.rpm: Already downloaded
[SKIPPED] elfutils-libelf-0.188-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] elfutils-libs-0.188-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] fedora-gpg-keys-38-0.3.noarch.rpm: Already downloaded
[SKIPPED] fedora-release-38-0.15.noarch.rpm: Already downloaded
[SKIPPED] fedora-release-common-38-0.15.noarch.rpm: Already downloaded
[SKIPPED] fedora-release-identity-basic-38-0.15.noarch.rpm: Already downloaded
[SKIPPED] fedora-repos-38-0.3.noarch.rpm: Already downloaded
[SKIPPED] fedora-repos-rawhide-38-0.3.noarch.rpm: Already downloaded
[SKIPPED] filesystem-3.18-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] findutils-4.9.0-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] fonts-srpm-macros-2.0.5-10.fc38.noarch.rpm: Already downloaded
[SKIPPED] fpc-srpm-macros-1.3-6.fc37.noarch.rpm: Already downloaded
[SKIPPED] gawk-5.1.1-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] gdb-minimal-12.1-10.fc38.x86_64.rpm: Already downloaded
[SKIPPED] gdbm-libs-1.23-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] ghc-srpm-macros-1.5.0-7.fc37.noarch.rpm: Already downloaded
[SKIPPED] gmp-6.2.1-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] gnat-srpm-macros-5-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] go-srpm-macros-3.2.0-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] grep-3.8-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] gzip-1.12-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] info-7.0.1-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] kernel-srpm-macros-1.0-15.fc37.noarch.rpm: Already downloaded
[SKIPPED] keyutils-libs-1.6.1-5.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libacl-2.3.1-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libarchive-3.6.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libattr-2.5.1-5.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libblkid-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libcap-2.48-5.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libcom_err-1.46.5-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libdb-5.3.28-54.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libeconf-0.4.0-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libfdisk-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libffi-3.4.4-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libgcc-13.0.1-0.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libgomp-13.0.1-0.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libidn2-2.3.4-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libmount-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libnsl2-2.0.0-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libpkgconf-1.8.0-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libselinux-3.5-0.rc1.1.fc38.1.x86_64.rpm: Already downloaded
[SKIPPED] libsemanage-3.5-0.rc1.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libsepol-3.5-0.rc1.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libsigsegv-2.14-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libsmartcols-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libssh-0.10.4-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libssh-config-0.10.4-2.fc38.noarch.rpm: Already downloaded
[SKIPPED] libstdc++-13.0.1-0.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libtasn1-4.19.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libtirpc-1.3.3-0.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libunistring-1.0-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libutempter-1.2.1-7.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libuuid-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libverto-0.3.2-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libxcrypt-4.4.33-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libzstd-1.5.2-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] lua-libs-5.4.4-7.fc38.x86_64.rpm: Already downloaded
[SKIPPED] lua-srpm-macros-1-7.fc37.noarch.rpm: Already downloaded
[SKIPPED] lz4-libs-1.9.4-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] mpfr-4.1.1-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] ncurses-base-6.4-2.20230114.fc38.noarch.rpm: Already downloaded
[SKIPPED] ncurses-libs-6.4-2.20230114.fc38.x86_64.rpm: Already downloaded
[SKIPPED] nettle-3.8-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] nim-srpm-macros-3-7.fc37.noarch.rpm: Already downloaded
[SKIPPED] ocaml-srpm-macros-7-2.fc37.noarch.rpm: Already downloaded
[SKIPPED] openblas-srpm-macros-2-12.fc37.noarch.rpm: Already downloaded
[SKIPPED] openldap-2.6.3-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] openssl-libs-3.0.7-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] p11-kit-0.24.1-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] p11-kit-trust-0.24.1-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] package-notes-srpm-macros-0.5-6.fc38.noarch.rpm: Already downloaded
[SKIPPED] pam-1.5.2-15.fc38.x86_64.rpm: Already downloaded
[SKIPPED] pam-libs-1.5.2-15.fc38.x86_64.rpm: Already downloaded
[SKIPPED] patch-2.7.6-17.fc37.x86_64.rpm: Already downloaded
[SKIPPED] pcre2-10.42-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] pcre2-syntax-10.42-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] perl-srpm-macros-1-47.fc38.noarch.rpm: Already downloaded
[SKIPPED] pkgconf-1.8.0-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] pkgconf-m4-1.8.0-3.fc37.noarch.rpm: Already downloaded
[SKIPPED] pkgconf-pkg-config-1.8.0-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] popt-1.19-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] publicsuffix-list-dafsa-20221208-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] python-srpm-macros-3.11-7.fc38.noarch.rpm: Already downloaded
[SKIPPED] qt5-srpm-macros-5.15.8-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] readline-8.2-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] redhat-rpm-config-245-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] rpm-4.18.0-9.fc38.x86_64.rpm: Already downloaded
[SKIPPED] rpm-build-4.18.0-9.fc38.x86_64.rpm: Already downloaded
[SKIPPED] rpm-build-libs-4.18.0-9.fc38.x86_64.rpm: Already downloaded
[SKIPPED] rpm-libs-4.18.0-9.fc38.x86_64.rpm: Already downloaded
[SKIPPED] rpm-sequoia-1.2.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] rpmautospec-rpm-macros-0.3.1-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] rust-srpm-macros-23-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] sed-4.8-11.fc37.x86_64.rpm: Already downloaded
[SKIPPED] setup-2.14.3-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] shadow-utils-4.13-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] sqlite-libs-3.40.1-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] systemd-libs-252.4-598.fc38.x86_64.rpm: Already downloaded
[SKIPPED] tar-1.34-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] tzdata-2022g-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] unzip-6.0-58.fc38.x86_64.rpm: Already downloaded
[SKIPPED] util-linux-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] util-linux-core-2.38.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] which-2.21-36.fc38.x86_64.rpm: Already downloaded
[SKIPPED] xxhash-libs-0.8.1-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] xz-5.2.9-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] xz-libs-5.2.9-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] zip-3.0-35.fc38.x86_64.rpm: Already downloaded
[SKIPPED] zlib-1.2.13-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] zstd-1.5.2-3.fc37.x86_64.rpm: Already downloaded
fedora 1.6 MB/s | 1.6 kB 00:00
Importing GPG key 0xEB10B464:
Userid : "Fedora (38) <fedora-38-primary@fedoraproject.org>"
Fingerprint: 6A51 BBAB BA3D 5467 B617 1221 809A 8D7C EB10 B464
From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary
Key imported successfully
fedora 1.6 MB/s | 1.6 kB 00:00
GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary (0xEB10B464) is already installed
fedora 1.6 MB/s | 1.6 kB 00:00
Importing GPG key 0x5323552A:
Userid : "Fedora (37) <fedora-37-primary@fedoraproject.org>"
Fingerprint: ACB5 EE4E 831C 74BB 7C16 8D27 F55A D3FB 5323 552A
From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-37-primary
Key imported successfully
Running transaction check
Transaction check succeeded.
Running transaction test
Transaction test succeeded.
Running transaction
Running scriptlet: filesystem-3.18-2.fc37.x86_64 1/1
Preparing : 1/1
Installing : libgcc-13.0.1-0.1.fc38.x86_64 1/153
Running scriptlet: libgcc-13.0.1-0.1.fc38.x86_64 1/153
Installing : crypto-policies-20221215-2.gita4c31a3.fc38.noarc 2/153
Running scriptlet: crypto-policies-20221215-2.gita4c31a3.fc38.noarc 2/153
Installing : tzdata-2022g-1.fc38.noarch 3/153
Installing : fedora-release-identity-basic-38-0.15.noarch 4/153
Installing : rust-srpm-macros-23-1.fc38.noarch 5/153
Installing : qt5-srpm-macros-5.15.8-1.fc38.noarch 6/153
Installing : publicsuffix-list-dafsa-20221208-1.fc38.noarch 7/153
Installing : pkgconf-m4-1.8.0-3.fc37.noarch 8/153
Installing : perl-srpm-macros-1-47.fc38.noarch 9/153
Installing : pcre2-syntax-10.42-1.fc38.noarch 10/153
Installing : package-notes-srpm-macros-0.5-6.fc38.noarch 11/153
Installing : openblas-srpm-macros-2-12.fc37.noarch 12/153
Installing : ocaml-srpm-macros-7-2.fc37.noarch 13/153
Installing : nim-srpm-macros-3-7.fc37.noarch 14/153
Installing : ncurses-base-6.4-2.20230114.fc38.noarch 15/153
Installing : libssh-config-0.10.4-2.fc38.noarch 16/153
Installing : kernel-srpm-macros-1.0-15.fc37.noarch 17/153
Installing : gnat-srpm-macros-5-1.fc38.noarch 18/153
Installing : ghc-srpm-macros-1.5.0-7.fc37.noarch 19/153
Installing : fpc-srpm-macros-1.3-6.fc37.noarch 20/153
Installing : fedora-gpg-keys-38-0.3.noarch 21/153
Installing : fedora-release-38-0.15.noarch 22/153
Installing : fedora-release-common-38-0.15.noarch 23/153
Installing : fedora-repos-rawhide-38-0.3.noarch 24/153
Installing : fedora-repos-38-0.3.noarch 25/153
Installing : setup-2.14.3-1.fc38.noarch 26/153
warning: /etc/hosts created as /etc/hosts.rpmnew
Running scriptlet: setup-2.14.3-1.fc38.noarch 26/153
Installing : filesystem-3.18-2.fc37.x86_64 27/153
Installing : basesystem-11-14.fc37.noarch 28/153
Installing : glibc-gconv-extra-2.36.9000-23.fc38.x86_64 29/153
Running scriptlet: glibc-gconv-extra-2.36.9000-23.fc38.x86_64 29/153
Installing : glibc-minimal-langpack-2.36.9000-23.fc38.x86_64 30/153
Installing : glibc-common-2.36.9000-23.fc38.x86_64 31/153
Running scriptlet: glibc-2.36.9000-23.fc38.x86_64 32/153
Installing : glibc-2.36.9000-23.fc38.x86_64 32/153
Running scriptlet: glibc-2.36.9000-23.fc38.x86_64 32/153
Installing : ncurses-libs-6.4-2.20230114.fc38.x86_64 33/153
Installing : bash-5.2.15-1.fc38.x86_64 34/153
Running scriptlet: bash-5.2.15-1.fc38.x86_64 34/153
Installing : zlib-1.2.13-2.fc38.x86_64 35/153
Installing : xz-libs-5.2.9-1.fc38.x86_64 36/153
Installing : bzip2-libs-1.0.8-12.fc37.x86_64 37/153
Installing : elfutils-libelf-0.188-3.fc38.x86_64 38/153
Installing : gmp-1:6.2.1-3.fc37.x86_64 39/153
Installing : libstdc++-13.0.1-0.1.fc38.x86_64 40/153
Installing : libuuid-2.38.1-3.fc38.x86_64 41/153
Installing : libzstd-1.5.2-3.fc37.x86_64 42/153
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Installing : libxcrypt-4.4.33-5.fc38.x86_64 49/153
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Installing : systemd-libs-252.4-598.fc38.x86_64 51/153
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Installing : libcap-ng-0.8.3-5.fc38.x86_64 58/153
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Installing : libeconf-0.4.0-4.fc37.x86_64 62/153
Installing : pam-libs-1.5.2-15.fc38.x86_64 63/153
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Running scriptlet: libutempter-1.2.1-7.fc37.x86_64 79/153
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Installing : jansson-2.13.1-6.fc38.x86_64 93/153
Installing : libbrotli-1.0.9-11.fc38.x86_64 94/153
Installing : libnghttp2-1.51.0-2.fc38.x86_64 95/153
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Installing : libsigsegv-2.14-3.fc37.x86_64 108/153
Installing : gawk-5.1.1-4.fc37.x86_64 109/153
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Installing : libverto-0.3.2-4.fc37.x86_64 112/153
Installing : xxhash-libs-0.8.1-3.fc37.x86_64 113/153
Installing : coreutils-common-9.1-10.fc38.x86_64 114/153
Installing : openssl-libs-1:3.0.7-3.fc38.x86_64 115/153
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Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 117/153
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Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 117/153
Installing : krb5-libs-1.20.1-7.fc38.x86_64 118/153
Installing : libtirpc-1.3.3-0.fc37.x86_64 119/153
Running scriptlet: authselect-libs-1.4.2-1.fc38.x86_64 120/153
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Installing : gzip-1.12-2.fc37.x86_64 121/153
Installing : cracklib-2.9.7-30.fc38.x86_64 122/153
Installing : libpwquality-1.4.5-2.fc38.x86_64 123/153
Installing : authselect-1.4.2-1.fc38.x86_64 124/153
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Installing : pam-1.5.2-15.fc38.x86_64 126/153
Installing : libssh-0.10.4-2.fc38.x86_64 127/153
Installing : libevent-2.1.12-8.fc38.x86_64 128/153
Installing : openldap-2.6.3-1.fc38.x86_64 129/153
Installing : libcurl-7.87.0-3.fc38.x86_64 130/153
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Installing : binutils-gold-2.39-6.fc38.x86_64 133/153
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Running scriptlet: binutils-2.39-6.fc38.x86_64 134/153
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Installing : gdb-minimal-12.1-10.fc38.x86_64 136/153
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Installing : curl-7.87.0-3.fc38.x86_64 139/153
Installing : libarchive-3.6.1-3.fc38.x86_64 140/153
Running scriptlet: rpm-4.18.0-9.fc38.x86_64 141/153
Installing : rpm-4.18.0-9.fc38.x86_64 141/153
Installing : efi-srpm-macros-5-6.fc37.noarch 142/153
Installing : lua-srpm-macros-1-7.fc37.noarch 143/153
Installing : rpmautospec-rpm-macros-0.3.1-1.fc38.noarch 144/153
Installing : ansible-srpm-macros-1-8.1.fc38.noarch 145/153
Installing : fonts-srpm-macros-1:2.0.5-10.fc38.noarch 146/153
Installing : go-srpm-macros-3.2.0-1.fc38.noarch 147/153
Installing : python-srpm-macros-3.11-7.fc38.noarch 148/153
Installing : redhat-rpm-config-245-1.fc38.noarch 149/153
Installing : rpm-build-4.18.0-9.fc38.x86_64 150/153
Installing : util-linux-2.38.1-3.fc38.x86_64 151/153
Installing : which-2.21-36.fc38.x86_64 152/153
Installing : info-7.0.1-1.fc38.x86_64 153/153
Running scriptlet: filesystem-3.18-2.fc37.x86_64 153/153
Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 153/153
Running scriptlet: authselect-libs-1.4.2-1.fc38.x86_64 153/153
Running scriptlet: rpm-4.18.0-9.fc38.x86_64 153/153
Running scriptlet: info-7.0.1-1.fc38.x86_64 153/153
Verifying : audit-libs-3.0.9-3.fc38.x86_64 1/153
Verifying : crypto-policies-20221215-2.gita4c31a3.fc38.noarc 2/153
Verifying : curl-7.87.0-3.fc38.x86_64 3/153
Verifying : file-5.42-5.fc38.x86_64 4/153
Verifying : file-libs-5.42-5.fc38.x86_64 5/153
Verifying : glibc-2.36.9000-23.fc38.x86_64 6/153
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Verifying : glibc-gconv-extra-2.36.9000-23.fc38.x86_64 8/153
Verifying : glibc-minimal-langpack-2.36.9000-23.fc38.x86_64 9/153
Verifying : jansson-2.13.1-6.fc38.x86_64 10/153
Verifying : krb5-libs-1.20.1-7.fc38.x86_64 11/153
Verifying : libbrotli-1.0.9-11.fc38.x86_64 12/153
Verifying : libcap-ng-0.8.3-5.fc38.x86_64 13/153
Verifying : libcurl-7.87.0-3.fc38.x86_64 14/153
Verifying : libevent-2.1.12-8.fc38.x86_64 15/153
Verifying : libnghttp2-1.51.0-2.fc38.x86_64 16/153
Verifying : libpsl-0.21.2-2.fc38.x86_64 17/153
Verifying : libpwquality-1.4.5-2.fc38.x86_64 18/153
Verifying : libxml2-2.10.3-3.fc38.x86_64 19/153
Verifying : alternatives-1.21-1.fc38.x86_64 20/153
Verifying : ansible-srpm-macros-1-8.1.fc38.noarch 21/153
Verifying : authselect-1.4.2-1.fc38.x86_64 22/153
Verifying : authselect-libs-1.4.2-1.fc38.x86_64 23/153
Verifying : basesystem-11-14.fc37.noarch 24/153
Verifying : bash-5.2.15-1.fc38.x86_64 25/153
Verifying : binutils-2.39-6.fc38.x86_64 26/153
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Verifying : ca-certificates-2022.2.54-5.fc37.noarch 30/153
Verifying : coreutils-9.1-10.fc38.x86_64 31/153
Verifying : coreutils-common-9.1-10.fc38.x86_64 32/153
Verifying : cpio-2.13-13.fc38.x86_64 33/153
Verifying : cracklib-2.9.7-30.fc38.x86_64 34/153
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Verifying : debugedit-5.0-5.fc37.x86_64 36/153
Verifying : diffutils-3.9-1.fc38.x86_64 37/153
Verifying : dwz-0.15-1.fc38.x86_64 38/153
Verifying : ed-1.19-1.fc38.x86_64 39/153
Verifying : efi-srpm-macros-5-6.fc37.noarch 40/153
Verifying : elfutils-0.188-3.fc38.x86_64 41/153
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Verifying : elfutils-libelf-0.188-3.fc38.x86_64 44/153
Verifying : elfutils-libs-0.188-3.fc38.x86_64 45/153
Verifying : fedora-gpg-keys-38-0.3.noarch 46/153
Verifying : fedora-release-38-0.15.noarch 47/153
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Verifying : fedora-release-identity-basic-38-0.15.noarch 49/153
Verifying : fedora-repos-38-0.3.noarch 50/153
Verifying : fedora-repos-rawhide-38-0.3.noarch 51/153
Verifying : filesystem-3.18-2.fc37.x86_64 52/153
Verifying : findutils-1:4.9.0-2.fc37.x86_64 53/153
Verifying : fonts-srpm-macros-1:2.0.5-10.fc38.noarch 54/153
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Verifying : gawk-5.1.1-4.fc37.x86_64 56/153
Verifying : gdb-minimal-12.1-10.fc38.x86_64 57/153
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Verifying : grep-3.8-2.fc38.x86_64 63/153
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Verifying : libblkid-2.38.1-3.fc38.x86_64 71/153
Verifying : libcap-2.48-5.fc37.x86_64 72/153
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Verifying : libfdisk-2.38.1-3.fc38.x86_64 76/153
Verifying : libffi-3.4.4-1.fc38.x86_64 77/153
Verifying : libgcc-13.0.1-0.1.fc38.x86_64 78/153
Verifying : libgomp-13.0.1-0.1.fc38.x86_64 79/153
Verifying : libidn2-2.3.4-1.fc38.x86_64 80/153
Verifying : libmount-2.38.1-3.fc38.x86_64 81/153
Verifying : libnsl2-2.0.0-4.fc37.x86_64 82/153
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Verifying : libxcrypt-4.4.33-5.fc38.x86_64 98/153
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Verifying : pam-1.5.2-15.fc38.x86_64 115/153
Verifying : pam-libs-1.5.2-15.fc38.x86_64 116/153
Verifying : patch-2.7.6-17.fc37.x86_64 117/153
Verifying : pcre2-10.42-1.fc38.x86_64 118/153
Verifying : pcre2-syntax-10.42-1.fc38.noarch 119/153
Verifying : perl-srpm-macros-1-47.fc38.noarch 120/153
Verifying : pkgconf-1.8.0-3.fc37.x86_64 121/153
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Verifying : popt-1.19-1.fc38.x86_64 124/153
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Verifying : python-srpm-macros-3.11-7.fc38.noarch 126/153
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Verifying : readline-8.2-2.fc38.x86_64 128/153
Verifying : redhat-rpm-config-245-1.fc38.noarch 129/153
Verifying : rpm-4.18.0-9.fc38.x86_64 130/153
Verifying : rpm-build-4.18.0-9.fc38.x86_64 131/153
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Verifying : rpmautospec-rpm-macros-0.3.1-1.fc38.noarch 135/153
Verifying : rust-srpm-macros-23-1.fc38.noarch 136/153
Verifying : sed-4.8-11.fc37.x86_64 137/153
Verifying : setup-2.14.3-1.fc38.noarch 138/153
Verifying : shadow-utils-2:4.13-3.fc38.x86_64 139/153
Verifying : sqlite-libs-3.40.1-1.fc38.x86_64 140/153
Verifying : systemd-libs-252.4-598.fc38.x86_64 141/153
Verifying : tar-2:1.34-5.fc38.x86_64 142/153
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Verifying : unzip-6.0-58.fc38.x86_64 144/153
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Installed:
alternatives-1.21-1.fc38.x86_64
ansible-srpm-macros-1-8.1.fc38.noarch
audit-libs-3.0.9-3.fc38.x86_64
authselect-1.4.2-1.fc38.x86_64
authselect-libs-1.4.2-1.fc38.x86_64
basesystem-11-14.fc37.noarch
bash-5.2.15-1.fc38.x86_64
binutils-2.39-6.fc38.x86_64
binutils-gold-2.39-6.fc38.x86_64
bzip2-1.0.8-12.fc37.x86_64
bzip2-libs-1.0.8-12.fc37.x86_64
ca-certificates-2022.2.54-5.fc37.noarch
coreutils-9.1-10.fc38.x86_64
coreutils-common-9.1-10.fc38.x86_64
cpio-2.13-13.fc38.x86_64
cracklib-2.9.7-30.fc38.x86_64
crypto-policies-20221215-2.gita4c31a3.fc38.noarch
curl-7.87.0-3.fc38.x86_64
cyrus-sasl-lib-2.1.28-8.fc38.x86_64
debugedit-5.0-5.fc37.x86_64
diffutils-3.9-1.fc38.x86_64
dwz-0.15-1.fc38.x86_64
ed-1.19-1.fc38.x86_64
efi-srpm-macros-5-6.fc37.noarch
elfutils-0.188-3.fc38.x86_64
elfutils-debuginfod-client-0.188-3.fc38.x86_64
elfutils-default-yama-scope-0.188-3.fc38.noarch
elfutils-libelf-0.188-3.fc38.x86_64
elfutils-libs-0.188-3.fc38.x86_64
fedora-gpg-keys-38-0.3.noarch
fedora-release-38-0.15.noarch
fedora-release-common-38-0.15.noarch
fedora-release-identity-basic-38-0.15.noarch
fedora-repos-38-0.3.noarch
fedora-repos-rawhide-38-0.3.noarch
file-5.42-5.fc38.x86_64
file-libs-5.42-5.fc38.x86_64
filesystem-3.18-2.fc37.x86_64
findutils-1:4.9.0-2.fc37.x86_64
fonts-srpm-macros-1:2.0.5-10.fc38.noarch
fpc-srpm-macros-1.3-6.fc37.noarch
gawk-5.1.1-4.fc37.x86_64
gdb-minimal-12.1-10.fc38.x86_64
gdbm-libs-1:1.23-2.fc37.x86_64
ghc-srpm-macros-1.5.0-7.fc37.noarch
glibc-2.36.9000-23.fc38.x86_64
glibc-common-2.36.9000-23.fc38.x86_64
glibc-gconv-extra-2.36.9000-23.fc38.x86_64
glibc-minimal-langpack-2.36.9000-23.fc38.x86_64
gmp-1:6.2.1-3.fc37.x86_64
gnat-srpm-macros-5-1.fc38.noarch
go-srpm-macros-3.2.0-1.fc38.noarch
grep-3.8-2.fc38.x86_64
gzip-1.12-2.fc37.x86_64
info-7.0.1-1.fc38.x86_64
jansson-2.13.1-6.fc38.x86_64
kernel-srpm-macros-1.0-15.fc37.noarch
keyutils-libs-1.6.1-5.fc37.x86_64
krb5-libs-1.20.1-7.fc38.x86_64
libacl-2.3.1-4.fc37.x86_64
libarchive-3.6.1-3.fc38.x86_64
libattr-2.5.1-5.fc37.x86_64
libblkid-2.38.1-3.fc38.x86_64
libbrotli-1.0.9-11.fc38.x86_64
libcap-2.48-5.fc37.x86_64
libcap-ng-0.8.3-5.fc38.x86_64
libcom_err-1.46.5-3.fc37.x86_64
libcurl-7.87.0-3.fc38.x86_64
libdb-5.3.28-54.fc38.x86_64
libeconf-0.4.0-4.fc37.x86_64
libevent-2.1.12-8.fc38.x86_64
libfdisk-2.38.1-3.fc38.x86_64
libffi-3.4.4-1.fc38.x86_64
libgcc-13.0.1-0.1.fc38.x86_64
libgomp-13.0.1-0.1.fc38.x86_64
libidn2-2.3.4-1.fc38.x86_64
libmount-2.38.1-3.fc38.x86_64
libnghttp2-1.51.0-2.fc38.x86_64
libnsl2-2.0.0-4.fc37.x86_64
libpkgconf-1.8.0-3.fc37.x86_64
libpsl-0.21.2-2.fc38.x86_64
libpwquality-1.4.5-2.fc38.x86_64
libselinux-3.5-0.rc1.1.fc38.1.x86_64
libsemanage-3.5-0.rc1.1.fc38.x86_64
libsepol-3.5-0.rc1.1.fc38.x86_64
libsigsegv-2.14-3.fc37.x86_64
libsmartcols-2.38.1-3.fc38.x86_64
libssh-0.10.4-2.fc38.x86_64
libssh-config-0.10.4-2.fc38.noarch
libstdc++-13.0.1-0.1.fc38.x86_64
libtasn1-4.19.0-1.fc38.x86_64
libtirpc-1.3.3-0.fc37.x86_64
libunistring-1.0-2.fc37.x86_64
libutempter-1.2.1-7.fc37.x86_64
libuuid-2.38.1-3.fc38.x86_64
libverto-0.3.2-4.fc37.x86_64
libxcrypt-4.4.33-5.fc38.x86_64
libxml2-2.10.3-3.fc38.x86_64
libzstd-1.5.2-3.fc37.x86_64
lua-libs-5.4.4-7.fc38.x86_64
lua-srpm-macros-1-7.fc37.noarch
lz4-libs-1.9.4-1.fc38.x86_64
mpfr-4.1.1-2.fc38.x86_64
ncurses-base-6.4-2.20230114.fc38.noarch
ncurses-libs-6.4-2.20230114.fc38.x86_64
nettle-3.8-2.fc37.x86_64
nim-srpm-macros-3-7.fc37.noarch
ocaml-srpm-macros-7-2.fc37.noarch
openblas-srpm-macros-2-12.fc37.noarch
openldap-2.6.3-1.fc38.x86_64
openssl-libs-1:3.0.7-3.fc38.x86_64
p11-kit-0.24.1-5.fc38.x86_64
p11-kit-trust-0.24.1-5.fc38.x86_64
package-notes-srpm-macros-0.5-6.fc38.noarch
pam-1.5.2-15.fc38.x86_64
pam-libs-1.5.2-15.fc38.x86_64
patch-2.7.6-17.fc37.x86_64
pcre2-10.42-1.fc38.x86_64
pcre2-syntax-10.42-1.fc38.noarch
perl-srpm-macros-1-47.fc38.noarch
pkgconf-1.8.0-3.fc37.x86_64
pkgconf-m4-1.8.0-3.fc37.noarch
pkgconf-pkg-config-1.8.0-3.fc37.x86_64
popt-1.19-1.fc38.x86_64
publicsuffix-list-dafsa-20221208-1.fc38.noarch
python-srpm-macros-3.11-7.fc38.noarch
qt5-srpm-macros-5.15.8-1.fc38.noarch
readline-8.2-2.fc38.x86_64
redhat-rpm-config-245-1.fc38.noarch
rpm-4.18.0-9.fc38.x86_64
rpm-build-4.18.0-9.fc38.x86_64
rpm-build-libs-4.18.0-9.fc38.x86_64
rpm-libs-4.18.0-9.fc38.x86_64
rpm-sequoia-1.2.0-1.fc38.x86_64
rpmautospec-rpm-macros-0.3.1-1.fc38.noarch
rust-srpm-macros-23-1.fc38.noarch
sed-4.8-11.fc37.x86_64
setup-2.14.3-1.fc38.noarch
shadow-utils-2:4.13-3.fc38.x86_64
sqlite-libs-3.40.1-1.fc38.x86_64
systemd-libs-252.4-598.fc38.x86_64
tar-2:1.34-5.fc38.x86_64
tzdata-2022g-1.fc38.noarch
unzip-6.0-58.fc38.x86_64
util-linux-2.38.1-3.fc38.x86_64
util-linux-core-2.38.1-3.fc38.x86_64
which-2.21-36.fc38.x86_64
xxhash-libs-0.8.1-3.fc37.x86_64
xz-5.2.9-1.fc38.x86_64
xz-libs-5.2.9-1.fc38.x86_64
zip-3.0-35.fc38.x86_64
zlib-1.2.13-2.fc38.x86_64
zstd-1.5.2-3.fc37.x86_64
Complete!
Finish: dnf install
Start: creating root cache
Finish: creating root cache
Finish: chroot init
INFO: Installed packages:
INFO: libzstd-1.5.2-3.fc37.x86_64
openblas-srpm-macros-2-12.fc37.noarch
curl-7.87.0-3.fc38.x86_64
libstdc++-13.0.1-0.1.fc38.x86_64
fedora-release-common-38-0.15.noarch
coreutils-9.1-10.fc38.x86_64
ghc-srpm-macros-1.5.0-7.fc37.noarch
libutempter-1.2.1-7.fc37.x86_64
libxcrypt-4.4.33-5.fc38.x86_64
libdb-5.3.28-54.fc38.x86_64
libunistring-1.0-2.fc37.x86_64
libffi-3.4.4-1.fc38.x86_64
ncurses-base-6.4-2.20230114.fc38.noarch
pkgconf-pkg-config-1.8.0-3.fc37.x86_64
fpc-srpm-macros-1.3-6.fc37.noarch
gnat-srpm-macros-5-1.fc38.noarch
kernel-srpm-macros-1.0-15.fc37.noarch
filesystem-3.18-2.fc37.x86_64
libtasn1-4.19.0-1.fc38.x86_64
jansson-2.13.1-6.fc38.x86_64
bzip2-libs-1.0.8-12.fc37.x86_64
lz4-libs-1.9.4-1.fc38.x86_64
ansible-srpm-macros-1-8.1.fc38.noarch
authselect-1.4.2-1.fc38.x86_64
libpkgconf-1.8.0-3.fc37.x86_64
libssh-config-0.10.4-2.fc38.noarch
debugedit-5.0-5.fc37.x86_64
lua-srpm-macros-1-7.fc37.noarch
libacl-2.3.1-4.fc37.x86_64
gmp-6.2.1-3.fc37.x86_64
efi-srpm-macros-5-6.fc37.noarch
fedora-release-identity-basic-38-0.15.noarch
dwz-0.15-1.fc38.x86_64
rpm-build-4.18.0-9.fc38.x86_64
libcurl-7.87.0-3.fc38.x86_64
elfutils-libelf-0.188-3.fc38.x86_64
gpg-pubkey-eb10b464-6202d9c6
bash-5.2.15-1.fc38.x86_64
alternatives-1.21-1.fc38.x86_64
libpsl-0.21.2-2.fc38.x86_64
gdbm-libs-1.23-2.fc37.x86_64
glibc-minimal-langpack-2.36.9000-23.fc38.x86_64
glibc-gconv-extra-2.36.9000-23.fc38.x86_64
popt-1.19-1.fc38.x86_64
zstd-1.5.2-3.fc37.x86_64
pcre2-10.42-1.fc38.x86_64
elfutils-default-yama-scope-0.188-3.fc38.noarch
libcap-2.48-5.fc37.x86_64
elfutils-libs-0.188-3.fc38.x86_64
sqlite-libs-3.40.1-1.fc38.x86_64
pkgconf-1.8.0-3.fc37.x86_64
gzip-1.12-2.fc37.x86_64
file-5.42-5.fc38.x86_64
gpg-pubkey-5323552a-6112bcdc
util-linux-2.38.1-3.fc38.x86_64
fedora-repos-38-0.3.noarch
xxhash-libs-0.8.1-3.fc37.x86_64
xz-libs-5.2.9-1.fc38.x86_64
p11-kit-trust-0.24.1-5.fc38.x86_64
cracklib-2.9.7-30.fc38.x86_64
libgomp-13.0.1-0.1.fc38.x86_64
coreutils-common-9.1-10.fc38.x86_64
glibc-common-2.36.9000-23.fc38.x86_64
libfdisk-2.38.1-3.fc38.x86_64
package-notes-srpm-macros-0.5-6.fc38.noarch
ca-certificates-2022.2.54-5.fc37.noarch
libnghttp2-1.51.0-2.fc38.x86_64
rpm-build-libs-4.18.0-9.fc38.x86_64
libpwquality-1.4.5-2.fc38.x86_64
ncurses-libs-6.4-2.20230114.fc38.x86_64
redhat-rpm-config-245-1.fc38.noarch
libidn2-2.3.4-1.fc38.x86_64
cyrus-sasl-lib-2.1.28-8.fc38.x86_64
tzdata-2022g-1.fc38.noarch
zlib-1.2.13-2.fc38.x86_64
rpm-sequoia-1.2.0-1.fc38.x86_64
authselect-libs-1.4.2-1.fc38.x86_64
setup-2.14.3-1.fc38.noarch
elfutils-debuginfod-client-0.188-3.fc38.x86_64
fedora-gpg-keys-38-0.3.noarch
audit-libs-3.0.9-3.fc38.x86_64
cpio-2.13-13.fc38.x86_64
perl-srpm-macros-1-47.fc38.noarch
publicsuffix-list-dafsa-20221208-1.fc38.noarch
pam-1.5.2-15.fc38.x86_64
unzip-6.0-58.fc38.x86_64
gdb-minimal-12.1-10.fc38.x86_64
libverto-0.3.2-4.fc37.x86_64
qt5-srpm-macros-5.15.8-1.fc38.noarch
libsigsegv-2.14-3.fc37.x86_64
libsemanage-3.5-0.rc1.1.fc38.x86_64
openssl-libs-3.0.7-3.fc38.x86_64
sed-4.8-11.fc37.x86_64
rpm-libs-4.18.0-9.fc38.x86_64
libeconf-0.4.0-4.fc37.x86_64
info-7.0.1-1.fc38.x86_64
pkgconf-m4-1.8.0-3.fc37.noarch
python-srpm-macros-3.11-7.fc38.noarch
libnsl2-2.0.0-4.fc37.x86_64
libblkid-2.38.1-3.fc38.x86_64
readline-8.2-2.fc38.x86_64
p11-kit-0.24.1-5.fc38.x86_64
lua-libs-5.4.4-7.fc38.x86_64
basesystem-11-14.fc37.noarch
rust-srpm-macros-23-1.fc38.noarch
libsmartcols-2.38.1-3.fc38.x86_64
libevent-2.1.12-8.fc38.x86_64
libcom_err-1.46.5-3.fc37.x86_64
libssh-0.10.4-2.fc38.x86_64
binutils-gold-2.39-6.fc38.x86_64
shadow-utils-4.13-3.fc38.x86_64
zip-3.0-35.fc38.x86_64
openldap-2.6.3-1.fc38.x86_64
libuuid-2.38.1-3.fc38.x86_64
ed-1.19-1.fc38.x86_64
rpm-4.18.0-9.fc38.x86_64
patch-2.7.6-17.fc37.x86_64
nim-srpm-macros-3-7.fc37.noarch
crypto-policies-20221215-2.gita4c31a3.fc38.noarch
libmount-2.38.1-3.fc38.x86_64
grep-3.8-2.fc38.x86_64
pam-libs-1.5.2-15.fc38.x86_64
pcre2-syntax-10.42-1.fc38.noarch
fedora-repos-rawhide-38-0.3.noarch
libselinux-3.5-0.rc1.1.fc38.1.x86_64
ocaml-srpm-macros-7-2.fc37.noarch
libcap-ng-0.8.3-5.fc38.x86_64
libxml2-2.10.3-3.fc38.x86_64
elfutils-0.188-3.fc38.x86_64
rpmautospec-rpm-macros-0.3.1-1.fc38.noarch
findutils-4.9.0-2.fc37.x86_64
fonts-srpm-macros-2.0.5-10.fc38.noarch
xz-5.2.9-1.fc38.x86_64
file-libs-5.42-5.fc38.x86_64
diffutils-3.9-1.fc38.x86_64
libbrotli-1.0.9-11.fc38.x86_64
libattr-2.5.1-5.fc37.x86_64
libsepol-3.5-0.rc1.1.fc38.x86_64
util-linux-core-2.38.1-3.fc38.x86_64
keyutils-libs-1.6.1-5.fc37.x86_64
krb5-libs-1.20.1-7.fc38.x86_64
gawk-5.1.1-4.fc37.x86_64
systemd-libs-252.4-598.fc38.x86_64
libtirpc-1.3.3-0.fc37.x86_64
mpfr-4.1.1-2.fc38.x86_64
which-2.21-36.fc38.x86_64
libarchive-3.6.1-3.fc38.x86_64
bzip2-1.0.8-12.fc37.x86_64
binutils-2.39-6.fc38.x86_64
tar-1.34-5.fc38.x86_64
nettle-3.8-2.fc37.x86_64
glibc-2.36.9000-23.fc38.x86_64
libgcc-13.0.1-0.1.fc38.x86_64
go-srpm-macros-3.2.0-1.fc38.noarch
fedora-release-38-0.15.noarch
Start: buildsrpm
Start: rpmbuild -bs
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1674172800
Wrote: /builddir/build/SRPMS/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
Finish: rpmbuild -bs
cp: ‘var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log’: No such file or directory
INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan
INFO: /var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log/dnf.rpm.log
/var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log/dnf.librepo.log
/var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log/dnf.log
Finish: buildsrpm
INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-503n5533/python-cclib/python-cclib.spec) Config(child) 0 minutes 57 seconds
INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results
INFO: Cleaning up build root ('cleanup_on_success=True')
Start: clean chroot
INFO: unmounting tmpfs.
Finish: clean chroot
Finish: run
Running (timeout=18000): unbuffer mock --rebuild /var/lib/copr-rpmbuild/results/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1674297577.474532 -r /var/lib/copr-rpmbuild/results/configs/child.cfg
INFO: mock.py version 3.5 starting (python version = 3.11.0, NVR = mock-3.5-1.fc37)...
Start(bootstrap): init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish(bootstrap): init plugins
Start: init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish: init plugins
INFO: Signal handler active
Start: run
INFO: Start(/var/lib/copr-rpmbuild/results/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm) Config(fedora-rawhide-x86_64)
Start: clean chroot
Finish: clean chroot
Start(bootstrap): chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1674297577.474532/root.
INFO: reusing tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1674297577.474532/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start(bootstrap): cleaning package manager metadata
Finish(bootstrap): cleaning package manager metadata
INFO: enabled HW Info plugin
Mock Version: 3.5
INFO: Mock Version: 3.5
Finish(bootstrap): chroot init
Start: chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root.
INFO: calling preinit hooks
INFO: enabled root cache
Start: unpacking root cache
Finish: unpacking root cache
INFO: enabled package manager cache
Start: cleaning package manager metadata
Finish: cleaning package manager metadata
INFO: enabled HW Info plugin
Mock Version: 3.5
INFO: Mock Version: 3.5
Start: dnf update
No matches found for the following disable plugin patterns: local, spacewalk, versionlock
Copr repository 15 kB/s | 3.7 kB 00:00
fedora 53 kB/s | 13 kB 00:00
Dependencies resolved.
Nothing to do.
Complete!
Finish: dnf update
Finish: chroot init
Start: build phase for python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
Start: build setup for python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1674172800
Wrote: /builddir/build/SRPMS/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
No matches found for the following disable plugin patterns: local, spacewalk, versionlock
Copr repository 15 kB/s | 3.7 kB 00:00
fedora 53 kB/s | 13 kB 00:00
Dependencies resolved.
===============================================================================================
Package Arch Version Repo Size
===============================================================================================
Installing:
python3-biopython x86_64 1.80-4.fc38 copr_base 3.3 M
python3-devel x86_64 3.11.1-3.fc38 copr_base 235 k
python3-numpy x86_64 1:1.23.5-2.fc38 copr_base 7.3 M
python3-packaging noarch 23.0-1.fc38 copr_base 98 k
python3-periodictable noarch 1.6.1-3.fc37 fedora 604 k
python3-scipy x86_64 1.8.1-6.fc37 fedora 20 M
python3-setuptools noarch 65.5.1-1.fc38 fedora 1.7 M
python3-six noarch 1.16.0-8.fc37 fedora 42 k
Installing dependencies:
adobe-mappings-cmap noarch 20230118-1.fc38 fedora 2.1 M
adobe-mappings-cmap-deprecated noarch 20230118-1.fc38 fedora 113 k
adobe-mappings-pdf noarch 20190401-2.fc37 fedora 697 k
avahi-libs x86_64 0.8-19.fc38 fedora 67 k
cairo x86_64 1.17.6-2.fc37 fedora 676 k
cairo-gobject x86_64 1.17.6-2.fc37 fedora 18 k
crypto-policies-scripts noarch 20221215-2.gita4c31a3.fc38 copr_base 104 k
cups-libs x86_64 1:2.4.2-5.fc38 fedora 268 k
dbus-libs x86_64 1:1.14.4-1.fc38 fedora 156 k
dejavu-sans-fonts noarch 2.37-19.fc37 fedora 1.3 M
expat x86_64 2.5.0-1.fc38 fedora 110 k
flex x86_64 2.6.4-11.fc37 fedora 313 k
flexiblas x86_64 3.3.0-1.fc38 fedora 32 k
flexiblas-netlib x86_64 3.3.0-1.fc38 fedora 3.2 M
flexiblas-openblas-openmp x86_64 3.3.0-1.fc38 fedora 17 k
fontconfig x86_64 2.14.1-2.fc38 fedora 294 k
fonts-filesystem noarch 1:2.0.5-10.fc38 fedora 8.0 k
freetype x86_64 2.12.1-3.fc37 fedora 407 k
fribidi x86_64 1.0.12-2.fc37 fedora 89 k
gd x86_64 2.3.3-9.fc38 fedora 138 k
gdk-pixbuf2 x86_64 2.42.10-1.fc38 fedora 485 k
glib2 x86_64 2.74.1-3.fc38 copr_base 2.7 M
gnutls x86_64 3.7.8-11.fc38 copr_base 1.1 M
google-droid-sans-fonts noarch 20200215-13.fc37 fedora 2.7 M
google-noto-fonts-common noarch 20201206^1.git0c78c8329-9.fc38 fedora 18 k
google-noto-sans-vf-fonts noarch 20201206^1.git0c78c8329-9.fc38 fedora 729 k
graphite2 x86_64 1.3.14-11.fc38 copr_base 95 k
graphviz x86_64 7.0.6-2.fc38 copr_base 4.9 M
gts x86_64 0.7.6-43.20121130.fc38 fedora 241 k
harfbuzz x86_64 6.0.0-2.fc38 fedora 819 k
highway x86_64 1.0.2-1.fc38 fedora 382 k
jbig2dec-libs x86_64 0.19-7.fc37 fedora 73 k
jbigkit-libs x86_64 2.1-24.fc37 fedora 53 k
langpacks-core-font-en noarch 3.0-27.fc38 fedora 9.9 k
lasi x86_64 1.1.3-9.fc37 fedora 54 k
lcms2 x86_64 2.14-1.fc38 fedora 176 k
libX11 x86_64 1.8.3-2.fc38 fedora 649 k
libX11-common noarch 1.8.3-2.fc38 fedora 178 k
libXau x86_64 1.0.11-1.fc38 fedora 31 k
libXext x86_64 1.3.5-1.fc38 fedora 39 k
libXft x86_64 2.3.6-1.fc38 fedora 71 k
libXpm x86_64 3.5.15-2.fc38 fedora 63 k
libXrender x86_64 0.9.11-1.fc38 fedora 27 k
libaom x86_64 3.5.0-3.fc38 copr_base 1.8 M
libart_lgpl x86_64 2.3.21-28.fc37 fedora 72 k
libavif x86_64 0.11.1-4.fc38 fedora 83 k
libb2 x86_64 0.98.1-7.fc37 fedora 25 k
libdatrie x86_64 0.2.13-4.fc37 fedora 32 k
libdav1d x86_64 1.0.0-2.fc37 fedora 584 k
libfontenc x86_64 1.1.6-1.fc38 fedora 32 k
libgfortran x86_64 13.0.1-0.1.fc38 fedora 889 k
libgs x86_64 9.56.1-6.fc38 fedora 3.6 M
libijs x86_64 0.35-16.fc37 fedora 29 k
libimagequant x86_64 2.17.0-3.fc37 fedora 62 k
libjpeg-turbo x86_64 2.1.4-1.fc38 fedora 181 k
libjxl x86_64 1:0.7.0-6.fc38 copr_base 1.1 M
libpaper x86_64 1:2.0.4-2.fc38 fedora 26 k
libpng x86_64 2:1.6.37-13.fc37 fedora 119 k
libpq x86_64 15.0-2.fc38 fedora 210 k
libquadmath x86_64 13.0.1-0.1.fc38 fedora 179 k
libraqm x86_64 0.8.0-3.fc38 fedora 20 k
librsvg2 x86_64 2.55.1-3.fc38 fedora 3.1 M
libthai x86_64 0.1.29-3.fc37 fedora 213 k
libtiff x86_64 4.4.0-4.fc37 fedora 197 k
libtool-ltdl x86_64 2.4.7-5.fc38 fedora 37 k
libvmaf x86_64 2.3.0-4.fc37 fedora 180 k
libwebp x86_64 1.3.0-1.fc38 fedora 283 k
libxcb x86_64 1.13.1-11.fc38 copr_base 226 k
m4 x86_64 1.4.19-4.fc37 fedora 303 k
mariadb-connector-c x86_64 3.2.7-2.fc37 fedora 196 k
mariadb-connector-c-config noarch 3.2.7-2.fc37 fedora 9.6 k
mkfontscale x86_64 1.2.2-2.fc37 fedora 32 k
mpdecimal x86_64 2.5.1-4.fc37 fedora 102 k
mysql-connector-python3 noarch 8.0.21-8.fc38 copr_base 553 k
netpbm x86_64 11.01.00-1.fc38 fedora 185 k
nspr x86_64 4.35.0-3.fc38 fedora 136 k
nss x86_64 3.87.0-1.fc38 fedora 692 k
nss-softokn x86_64 3.87.0-1.fc38 fedora 1.0 M
nss-softokn-freebl x86_64 3.87.0-1.fc38 fedora 326 k
nss-sysinit x86_64 3.87.0-1.fc38 fedora 18 k
nss-util x86_64 3.87.0-1.fc38 fedora 86 k
openblas x86_64 0.3.21-4.fc38 fedora 35 k
openblas-openmp x86_64 0.3.21-4.fc38 fedora 5.1 M
openjpeg2 x86_64 2.5.0-2.fc37 fedora 178 k
pango x86_64 1.50.12-2.fc38 fedora 341 k
pixman x86_64 0.40.0-6.fc37 fedora 277 k
poppler x86_64 22.08.0-4.fc38 fedora 1.2 M
poppler-data noarch 0.4.11-3.fc37 fedora 2.0 M
poppler-glib x86_64 22.08.0-4.fc38 fedora 176 k
protobuf x86_64 3.19.6-2.fc38 copr_base 1.0 M
pyproject-rpm-macros noarch 1.5.1-2.fc38 copr_base 41 k
python-pip-wheel noarch 22.3.1-1.fc38 fedora 1.4 M
python-rpm-macros noarch 3.11-7.fc38 fedora 20 k
python-setuptools-wheel noarch 65.5.1-1.fc38 fedora 715 k
python3 x86_64 3.11.1-3.fc38 copr_base 28 k
python3-isodate noarch 0.6.1-5.fc37 fedora 79 k
python3-libs x86_64 3.11.1-3.fc38 copr_base 9.2 M
python3-mysqlclient x86_64 2.1.1-2.fc38 fedora 106 k
python3-networkx noarch 2.8.8-1.fc38 fedora 3.5 M
python3-numpy-f2py x86_64 1:1.23.5-2.fc38 copr_base 433 k
python3-olefile noarch 0.46-18.fc37 fedora 67 k
python3-pillow x86_64 9.3.0-2.fc38 fedora 921 k
python3-protobuf x86_64 3.19.6-2.fc38 copr_base 397 k
python3-psycopg2 x86_64 2.9.3-6.fc37 fedora 208 k
python3-pygraphviz x86_64 1.10-1.fc38 fedora 160 k
python3-pyparsing noarch 3.0.9-3.fc38 copr_base 255 k
python3-rdflib noarch 6.2.0-1.fc38 fedora 965 k
python3-reportlab x86_64 3.6.12-1.fc38 fedora 3.5 M
python3-rpm-generators noarch 14-1.fc38 fedora 30 k
python3-rpm-macros noarch 3.11-7.fc38 fedora 15 k
rav1e-libs x86_64 0.5.1-6.fc38 fedora 919 k
shared-mime-info x86_64 2.2-2.fc37 fedora 381 k
svt-av1-libs x86_64 1.4.1-1.fc38 fedora 2.0 M
urw-base35-bookman-fonts noarch 20200910-15.fc37 fedora 848 k
urw-base35-c059-fonts noarch 20200910-15.fc37 fedora 875 k
urw-base35-d050000l-fonts noarch 20200910-15.fc37 fedora 76 k
urw-base35-fonts noarch 20200910-15.fc37 fedora 11 k
urw-base35-fonts-common noarch 20200910-15.fc37 fedora 21 k
urw-base35-gothic-fonts noarch 20200910-15.fc37 fedora 643 k
urw-base35-nimbus-mono-ps-fonts noarch 20200910-15.fc37 fedora 796 k
urw-base35-nimbus-roman-fonts noarch 20200910-15.fc37 fedora 857 k
urw-base35-nimbus-sans-fonts noarch 20200910-15.fc37 fedora 1.3 M
urw-base35-p052-fonts noarch 20200910-15.fc37 fedora 974 k
urw-base35-standard-symbols-ps-fonts noarch 20200910-15.fc37 fedora 42 k
urw-base35-z003-fonts noarch 20200910-15.fc37 fedora 276 k
wise2 x86_64 2.4.1-16.fc38 fedora 973 k
xml-common noarch 0.6.3-59.fc37 fedora 31 k
xorg-x11-fonts-ISO8859-1-100dpi noarch 7.5-34.fc37 fedora 1.1 M
Transaction Summary
===============================================================================================
Install 136 Packages
Total size: 120 M
Total download size: 50 M
Installed size: 504 M
Downloading Packages:
[SKIPPED] crypto-policies-scripts-20221215-2.gita4c31a3.fc38.noarch.rpm: Already downloaded
[SKIPPED] glib2-2.74.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] gnutls-3.7.8-11.fc38.x86_64.rpm: Already downloaded
[SKIPPED] graphite2-1.3.14-11.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libxcb-1.13.1-11.fc38.x86_64.rpm: Already downloaded
[SKIPPED] pyproject-rpm-macros-1.5.1-2.fc38.noarch.rpm: Already downloaded
[SKIPPED] python3-3.11.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] python3-devel-3.11.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] python3-libs-3.11.1-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] python3-numpy-1.23.5-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] python3-numpy-f2py-1.23.5-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] python3-packaging-23.0-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] python3-pyparsing-3.0.9-3.fc38.noarch.rpm: Already downloaded
[SKIPPED] cairo-1.17.6-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] dejavu-sans-fonts-2.37-19.fc37.noarch.rpm: Already downloaded
[SKIPPED] expat-2.5.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] flexiblas-3.3.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] flexiblas-netlib-3.3.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] flexiblas-openblas-openmp-3.3.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] fontconfig-2.14.1-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] fonts-filesystem-2.0.5-10.fc38.noarch.rpm: Already downloaded
[SKIPPED] freetype-2.12.1-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] fribidi-1.0.12-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] gdk-pixbuf2-2.42.10-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] google-noto-fonts-common-20201206^1.git0c78c8329-9.fc38.noarch.rpm: Already downloaded
[SKIPPED] google-noto-sans-vf-fonts-20201206^1.git0c78c8329-9.fc38.noarch.rpm: Already downloaded
[SKIPPED] harfbuzz-6.0.0-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] jbigkit-libs-2.1-24.fc37.x86_64.rpm: Already downloaded
[SKIPPED] langpacks-core-font-en-3.0-27.fc38.noarch.rpm: Already downloaded
[SKIPPED] lcms2-2.14-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libX11-1.8.3-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libX11-common-1.8.3-2.fc38.noarch.rpm: Already downloaded
[SKIPPED] libXau-1.0.11-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libXext-1.3.5-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libXft-2.3.6-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libXrender-0.9.11-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libb2-0.98.1-7.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libfontenc-1.1.6-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libgfortran-13.0.1-0.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libimagequant-2.17.0-3.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libjpeg-turbo-2.1.4-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libpng-1.6.37-13.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libpq-15.0-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libquadmath-13.0.1-0.1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libraqm-0.8.0-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libtiff-4.4.0-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] libtool-ltdl-2.4.7-5.fc38.x86_64.rpm: Already downloaded
[SKIPPED] libwebp-1.3.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] mariadb-connector-c-3.2.7-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] mariadb-connector-c-config-3.2.7-2.fc37.noarch.rpm: Already downloaded
[SKIPPED] mpdecimal-2.5.1-4.fc37.x86_64.rpm: Already downloaded
[SKIPPED] nspr-4.35.0-3.fc38.x86_64.rpm: Already downloaded
[SKIPPED] nss-3.87.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] nss-softokn-3.87.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] nss-softokn-freebl-3.87.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] nss-sysinit-3.87.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] nss-util-3.87.0-1.fc38.x86_64.rpm: Already downloaded
[SKIPPED] openblas-0.3.21-4.fc38.x86_64.rpm: Already downloaded
[SKIPPED] openblas-openmp-0.3.21-4.fc38.x86_64.rpm: Already downloaded
[SKIPPED] openjpeg2-2.5.0-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] pixman-0.40.0-6.fc37.x86_64.rpm: Already downloaded
[SKIPPED] poppler-22.08.0-4.fc38.x86_64.rpm: Already downloaded
[SKIPPED] poppler-data-0.4.11-3.fc37.noarch.rpm: Already downloaded
[SKIPPED] python-pip-wheel-22.3.1-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] python-rpm-macros-3.11-7.fc38.noarch.rpm: Already downloaded
[SKIPPED] python-setuptools-wheel-65.5.1-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] python3-olefile-0.46-18.fc37.noarch.rpm: Already downloaded
[SKIPPED] python3-pillow-9.3.0-2.fc38.x86_64.rpm: Already downloaded
[SKIPPED] python3-rpm-generators-14-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] python3-rpm-macros-3.11-7.fc38.noarch.rpm: Already downloaded
[SKIPPED] python3-scipy-1.8.1-6.fc37.x86_64.rpm: Already downloaded
[SKIPPED] python3-setuptools-65.5.1-1.fc38.noarch.rpm: Already downloaded
[SKIPPED] python3-six-1.16.0-8.fc37.noarch.rpm: Already downloaded
[SKIPPED] shared-mime-info-2.2-2.fc37.x86_64.rpm: Already downloaded
[SKIPPED] xml-common-0.6.3-59.fc37.noarch.rpm: Already downloaded
(76/136): libjxl-0.7.0-6.fc38.x86_64.rpm 3.6 MB/s | 1.1 MB 00:00
(77/136): libaom-3.5.0-3.fc38.x86_64.rpm 5.8 MB/s | 1.8 MB 00:00
(78/136): mysql-connector-python3-8.0.21-8.fc38 9.1 MB/s | 553 kB 00:00
(79/136): graphviz-7.0.6-2.fc38.x86_64.rpm 14 MB/s | 4.9 MB 00:00
(80/136): protobuf-3.19.6-2.fc38.x86_64.rpm 17 MB/s | 1.0 MB 00:00
(81/136): python3-protobuf-3.19.6-2.fc38.x86_64 32 MB/s | 397 kB 00:00
[MIRROR] adobe-mappings-cmap-20230118-1.fc38.noarch.rpm: Status code: 404 for http://forksystems.mm.fcix.net/fedora/linux/development/rawhide/Everything/x86_64/os/Packages/a/adobe-mappings-cmap-20230118-1.fc38.noarch.rpm (IP: 2620:39:6000:103::2)
(82/136): python3-biopython-1.80-4.fc38.x86_64. 51 MB/s | 3.3 MB 00:00
[MIRROR] adobe-mappings-cmap-deprecated-20230118-1.fc38.noarch.rpm: Status code: 404 for http://forksystems.mm.fcix.net/fedora/linux/development/rawhide/Everything/x86_64/os/Packages/a/adobe-mappings-cmap-deprecated-20230118-1.fc38.noarch.rpm (IP: 2620:39:6000:103::2)
[MIRROR] adobe-mappings-cmap-20230118-1.fc38.noarch.rpm: Status code: 404 for https://forksystems.mm.fcix.net/fedora/linux/development/rawhide/Everything/x86_64/os/Packages/a/adobe-mappings-cmap-20230118-1.fc38.noarch.rpm (IP: 2620:39:6000:103::2)
[MIRROR] adobe-mappings-cmap-deprecated-20230118-1.fc38.noarch.rpm: Status code: 404 for https://forksystems.mm.fcix.net/fedora/linux/development/rawhide/Everything/x86_64/os/Packages/a/adobe-mappings-cmap-deprecated-20230118-1.fc38.noarch.rpm (IP: 2620:39:6000:103::2)
(83/136): adobe-mappings-pdf-20190401-2.fc37.no 4.6 MB/s | 697 kB 00:00
(84/136): avahi-libs-0.8-19.fc38.x86_64.rpm 3.2 MB/s | 67 kB 00:00
(85/136): adobe-mappings-cmap-deprecated-202301 468 kB/s | 113 kB 00:00
(86/136): cairo-gobject-1.17.6-2.fc37.x86_64.rp 531 kB/s | 18 kB 00:00
(87/136): dbus-libs-1.14.4-1.fc38.x86_64.rpm 5.2 MB/s | 156 kB 00:00
(88/136): adobe-mappings-cmap-20230118-1.fc38.n 6.4 MB/s | 2.1 MB 00:00
(89/136): flex-2.6.4-11.fc37.x86_64.rpm 4.5 MB/s | 313 kB 00:00
(90/136): cups-libs-2.4.2-5.fc38.x86_64.rpm 2.2 MB/s | 268 kB 00:00
(91/136): gd-2.3.3-9.fc38.x86_64.rpm 1.0 MB/s | 138 kB 00:00
(92/136): gts-0.7.6-43.20121130.fc38.x86_64.rpm 2.5 MB/s | 241 kB 00:00
(93/136): google-droid-sans-fonts-20200215-13.f 21 MB/s | 2.7 MB 00:00
(94/136): jbig2dec-libs-0.19-7.fc37.x86_64.rpm 822 kB/s | 73 kB 00:00
(95/136): highway-1.0.2-1.fc38.x86_64.rpm 3.6 MB/s | 382 kB 00:00
(96/136): lasi-1.1.3-9.fc37.x86_64.rpm 634 kB/s | 54 kB 00:00
(97/136): libXpm-3.5.15-2.fc38.x86_64.rpm 1.8 MB/s | 63 kB 00:00
(98/136): libavif-0.11.1-4.fc38.x86_64.rpm 2.3 MB/s | 83 kB 00:00
(99/136): libart_lgpl-2.3.21-28.fc37.x86_64.rpm 1.2 MB/s | 72 kB 00:00
(100/136): libdatrie-0.2.13-4.fc37.x86_64.rpm 807 kB/s | 32 kB 00:00
(101/136): libdav1d-1.0.0-2.fc37.x86_64.rpm 15 MB/s | 584 kB 00:00
(102/136): libijs-0.35-16.fc37.x86_64.rpm 362 kB/s | 29 kB 00:00
(103/136): libpaper-2.0.4-2.fc38.x86_64.rpm 346 kB/s | 26 kB 00:00
(104/136): libgs-9.56.1-6.fc38.x86_64.rpm 28 MB/s | 3.6 MB 00:00
(105/136): libthai-0.1.29-3.fc37.x86_64.rpm 2.6 MB/s | 213 kB 00:00
(106/136): libvmaf-2.3.0-4.fc37.x86_64.rpm 3.2 MB/s | 180 kB 00:00
(107/136): m4-1.4.19-4.fc37.x86_64.rpm 11 MB/s | 303 kB 00:00
(108/136): mkfontscale-1.2.2-2.fc37.x86_64.rpm 1.4 MB/s | 32 kB 00:00
(109/136): pango-1.50.12-2.fc38.x86_64.rpm 7.4 MB/s | 341 kB 00:00
(110/136): librsvg2-2.55.1-3.fc38.x86_64.rpm 16 MB/s | 3.1 MB 00:00
(111/136): netpbm-11.01.00-1.fc38.x86_64.rpm 2.2 MB/s | 185 kB 00:00
(112/136): python3-isodate-0.6.1-5.fc37.noarch. 3.7 MB/s | 79 kB 00:00
(113/136): poppler-glib-22.08.0-4.fc38.x86_64.r 3.0 MB/s | 176 kB 00:00
(114/136): python3-mysqlclient-2.1.1-2.fc38.x86 1.8 MB/s | 106 kB 00:00
(115/136): python3-periodictable-1.6.1-3.fc37.n 4.5 MB/s | 604 kB 00:00
(116/136): python3-networkx-2.8.8-1.fc38.noarch 19 MB/s | 3.5 MB 00:00
(117/136): python3-psycopg2-2.9.3-6.fc37.x86_64 1.5 MB/s | 208 kB 00:00
(118/136): python3-pygraphviz-1.10-1.fc38.x86_6 2.6 MB/s | 160 kB 00:00
(119/136): python3-rdflib-6.2.0-1.fc38.noarch.r 16 MB/s | 965 kB 00:00
(120/136): rav1e-libs-0.5.1-6.fc38.x86_64.rpm 12 MB/s | 919 kB 00:00
(121/136): svt-av1-libs-1.4.1-1.fc38.x86_64.rpm 25 MB/s | 2.0 MB 00:00
(122/136): python3-reportlab-3.6.12-1.fc38.x86_ 25 MB/s | 3.5 MB 00:00
(123/136): urw-base35-bookman-fonts-20200910-15 12 MB/s | 848 kB 00:00
(124/136): urw-base35-c059-fonts-20200910-15.fc 21 MB/s | 875 kB 00:00
(125/136): urw-base35-d050000l-fonts-20200910-1 1.8 MB/s | 76 kB 00:00
(126/136): urw-base35-fonts-20200910-15.fc37.no 495 kB/s | 11 kB 00:00
(127/136): urw-base35-fonts-common-20200910-15. 1.0 MB/s | 21 kB 00:00
(128/136): urw-base35-nimbus-mono-ps-fonts-2020 14 MB/s | 796 kB 00:00
(129/136): urw-base35-gothic-fonts-20200910-15. 8.2 MB/s | 643 kB 00:00
(130/136): urw-base35-nimbus-sans-fonts-2020091 26 MB/s | 1.3 MB 00:00
(131/136): urw-base35-nimbus-roman-fonts-202009 7.3 MB/s | 857 kB 00:00
(132/136): urw-base35-p052-fonts-20200910-15.fc 13 MB/s | 974 kB 00:00
(133/136): urw-base35-standard-symbols-ps-fonts 856 kB/s | 42 kB 00:00
(134/136): urw-base35-z003-fonts-20200910-15.fc 8.1 MB/s | 276 kB 00:00
(135/136): xorg-x11-fonts-ISO8859-1-100dpi-7.5- 9.8 MB/s | 1.1 MB 00:00
(136/136): wise2-2.4.1-16.fc38.x86_64.rpm 5.4 MB/s | 973 kB 00:00
--------------------------------------------------------------------------------
Total 22 MB/s | 50 MB 00:02
Running transaction check
Transaction check succeeded.
Running transaction test
Transaction test succeeded.
Running transaction
Preparing : 1/1
Installing : libpng-2:1.6.37-13.fc37.x86_64 1/136
Installing : nspr-4.35.0-3.fc38.x86_64 2/136
Installing : libjpeg-turbo-2.1.4-1.fc38.x86_64 3/136
Installing : fonts-filesystem-1:2.0.5-10.fc38.noarch 4/136
Installing : urw-base35-fonts-common-20200910-15.fc37.noarch 5/136
Installing : nss-util-3.87.0-1.fc38.x86_64 6/136
Installing : libwebp-1.3.0-1.fc38.x86_64 7/136
Installing : python-rpm-macros-3.11-7.fc38.noarch 8/136
Installing : openjpeg2-2.5.0-2.fc37.x86_64 9/136
Installing : lcms2-2.14-1.fc38.x86_64 10/136
Installing : python3-rpm-macros-3.11-7.fc38.noarch 11/136
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Verifying : urw-base35-z003-fonts-20200910-15.fc37.noarch 133/136
Verifying : wise2-2.4.1-16.fc38.x86_64 134/136
Verifying : xml-common-0.6.3-59.fc37.noarch 135/136
Verifying : xorg-x11-fonts-ISO8859-1-100dpi-7.5-34.fc37.noar 136/136
Installed:
adobe-mappings-cmap-20230118-1.fc38.noarch
adobe-mappings-cmap-deprecated-20230118-1.fc38.noarch
adobe-mappings-pdf-20190401-2.fc37.noarch
avahi-libs-0.8-19.fc38.x86_64
cairo-1.17.6-2.fc37.x86_64
cairo-gobject-1.17.6-2.fc37.x86_64
crypto-policies-scripts-20221215-2.gita4c31a3.fc38.noarch
cups-libs-1:2.4.2-5.fc38.x86_64
dbus-libs-1:1.14.4-1.fc38.x86_64
dejavu-sans-fonts-2.37-19.fc37.noarch
expat-2.5.0-1.fc38.x86_64
flex-2.6.4-11.fc37.x86_64
flexiblas-3.3.0-1.fc38.x86_64
flexiblas-netlib-3.3.0-1.fc38.x86_64
flexiblas-openblas-openmp-3.3.0-1.fc38.x86_64
fontconfig-2.14.1-2.fc38.x86_64
fonts-filesystem-1:2.0.5-10.fc38.noarch
freetype-2.12.1-3.fc37.x86_64
fribidi-1.0.12-2.fc37.x86_64
gd-2.3.3-9.fc38.x86_64
gdk-pixbuf2-2.42.10-1.fc38.x86_64
glib2-2.74.1-3.fc38.x86_64
gnutls-3.7.8-11.fc38.x86_64
google-droid-sans-fonts-20200215-13.fc37.noarch
google-noto-fonts-common-20201206^1.git0c78c8329-9.fc38.noarch
google-noto-sans-vf-fonts-20201206^1.git0c78c8329-9.fc38.noarch
graphite2-1.3.14-11.fc38.x86_64
graphviz-7.0.6-2.fc38.x86_64
gts-0.7.6-43.20121130.fc38.x86_64
harfbuzz-6.0.0-2.fc38.x86_64
highway-1.0.2-1.fc38.x86_64
jbig2dec-libs-0.19-7.fc37.x86_64
jbigkit-libs-2.1-24.fc37.x86_64
langpacks-core-font-en-3.0-27.fc38.noarch
lasi-1.1.3-9.fc37.x86_64
lcms2-2.14-1.fc38.x86_64
libX11-1.8.3-2.fc38.x86_64
libX11-common-1.8.3-2.fc38.noarch
libXau-1.0.11-1.fc38.x86_64
libXext-1.3.5-1.fc38.x86_64
libXft-2.3.6-1.fc38.x86_64
libXpm-3.5.15-2.fc38.x86_64
libXrender-0.9.11-1.fc38.x86_64
libaom-3.5.0-3.fc38.x86_64
libart_lgpl-2.3.21-28.fc37.x86_64
libavif-0.11.1-4.fc38.x86_64
libb2-0.98.1-7.fc37.x86_64
libdatrie-0.2.13-4.fc37.x86_64
libdav1d-1.0.0-2.fc37.x86_64
libfontenc-1.1.6-1.fc38.x86_64
libgfortran-13.0.1-0.1.fc38.x86_64
libgs-9.56.1-6.fc38.x86_64
libijs-0.35-16.fc37.x86_64
libimagequant-2.17.0-3.fc37.x86_64
libjpeg-turbo-2.1.4-1.fc38.x86_64
libjxl-1:0.7.0-6.fc38.x86_64
libpaper-1:2.0.4-2.fc38.x86_64
libpng-2:1.6.37-13.fc37.x86_64
libpq-15.0-2.fc38.x86_64
libquadmath-13.0.1-0.1.fc38.x86_64
libraqm-0.8.0-3.fc38.x86_64
librsvg2-2.55.1-3.fc38.x86_64
libthai-0.1.29-3.fc37.x86_64
libtiff-4.4.0-4.fc37.x86_64
libtool-ltdl-2.4.7-5.fc38.x86_64
libvmaf-2.3.0-4.fc37.x86_64
libwebp-1.3.0-1.fc38.x86_64
libxcb-1.13.1-11.fc38.x86_64
m4-1.4.19-4.fc37.x86_64
mariadb-connector-c-3.2.7-2.fc37.x86_64
mariadb-connector-c-config-3.2.7-2.fc37.noarch
mkfontscale-1.2.2-2.fc37.x86_64
mpdecimal-2.5.1-4.fc37.x86_64
mysql-connector-python3-8.0.21-8.fc38.noarch
netpbm-11.01.00-1.fc38.x86_64
nspr-4.35.0-3.fc38.x86_64
nss-3.87.0-1.fc38.x86_64
nss-softokn-3.87.0-1.fc38.x86_64
nss-softokn-freebl-3.87.0-1.fc38.x86_64
nss-sysinit-3.87.0-1.fc38.x86_64
nss-util-3.87.0-1.fc38.x86_64
openblas-0.3.21-4.fc38.x86_64
openblas-openmp-0.3.21-4.fc38.x86_64
openjpeg2-2.5.0-2.fc37.x86_64
pango-1.50.12-2.fc38.x86_64
pixman-0.40.0-6.fc37.x86_64
poppler-22.08.0-4.fc38.x86_64
poppler-data-0.4.11-3.fc37.noarch
poppler-glib-22.08.0-4.fc38.x86_64
protobuf-3.19.6-2.fc38.x86_64
pyproject-rpm-macros-1.5.1-2.fc38.noarch
python-pip-wheel-22.3.1-1.fc38.noarch
python-rpm-macros-3.11-7.fc38.noarch
python-setuptools-wheel-65.5.1-1.fc38.noarch
python3-3.11.1-3.fc38.x86_64
python3-biopython-1.80-4.fc38.x86_64
python3-devel-3.11.1-3.fc38.x86_64
python3-isodate-0.6.1-5.fc37.noarch
python3-libs-3.11.1-3.fc38.x86_64
python3-mysqlclient-2.1.1-2.fc38.x86_64
python3-networkx-2.8.8-1.fc38.noarch
python3-numpy-1:1.23.5-2.fc38.x86_64
python3-numpy-f2py-1:1.23.5-2.fc38.x86_64
python3-olefile-0.46-18.fc37.noarch
python3-packaging-23.0-1.fc38.noarch
python3-periodictable-1.6.1-3.fc37.noarch
python3-pillow-9.3.0-2.fc38.x86_64
python3-protobuf-3.19.6-2.fc38.x86_64
python3-psycopg2-2.9.3-6.fc37.x86_64
python3-pygraphviz-1.10-1.fc38.x86_64
python3-pyparsing-3.0.9-3.fc38.noarch
python3-rdflib-6.2.0-1.fc38.noarch
python3-reportlab-3.6.12-1.fc38.x86_64
python3-rpm-generators-14-1.fc38.noarch
python3-rpm-macros-3.11-7.fc38.noarch
python3-scipy-1.8.1-6.fc37.x86_64
python3-setuptools-65.5.1-1.fc38.noarch
python3-six-1.16.0-8.fc37.noarch
rav1e-libs-0.5.1-6.fc38.x86_64
shared-mime-info-2.2-2.fc37.x86_64
svt-av1-libs-1.4.1-1.fc38.x86_64
urw-base35-bookman-fonts-20200910-15.fc37.noarch
urw-base35-c059-fonts-20200910-15.fc37.noarch
urw-base35-d050000l-fonts-20200910-15.fc37.noarch
urw-base35-fonts-20200910-15.fc37.noarch
urw-base35-fonts-common-20200910-15.fc37.noarch
urw-base35-gothic-fonts-20200910-15.fc37.noarch
urw-base35-nimbus-mono-ps-fonts-20200910-15.fc37.noarch
urw-base35-nimbus-roman-fonts-20200910-15.fc37.noarch
urw-base35-nimbus-sans-fonts-20200910-15.fc37.noarch
urw-base35-p052-fonts-20200910-15.fc37.noarch
urw-base35-standard-symbols-ps-fonts-20200910-15.fc37.noarch
urw-base35-z003-fonts-20200910-15.fc37.noarch
wise2-2.4.1-16.fc38.x86_64
xml-common-0.6.3-59.fc37.noarch
xorg-x11-fonts-ISO8859-1-100dpi-7.5-34.fc37.noarch
Complete!
Finish: build setup for python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
Start: rpmbuild python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1674172800
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.dBWEGg
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ rm -rf cclib.egg-info
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.nOvJDd
+ umask 022
+ cd /builddir/build/BUILD
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes'
+ /usr/bin/python3 setup.py build '--executable=/usr/bin/python3 -sP'
running build
running build_py
creating build
creating build/lib
creating build/lib/cclib
copying cclib/__init__.py -> build/lib/cclib
creating build/lib/cclib/scripts
copying cclib/scripts/cda.py -> build/lib/cclib/scripts
copying cclib/scripts/ccwrite.py -> build/lib/cclib/scripts
copying cclib/scripts/ccget.py -> build/lib/cclib/scripts
copying cclib/scripts/ccframe.py -> build/lib/cclib/scripts
copying cclib/scripts/__init__.py -> build/lib/cclib/scripts
creating build/lib/cclib/progress
copying cclib/progress/textprogress.py -> build/lib/cclib/progress
copying cclib/progress/qt4progress.py -> build/lib/cclib/progress
copying cclib/progress/__init__.py -> build/lib/cclib/progress
creating build/lib/cclib/parser
copying cclib/parser/utils.py -> build/lib/cclib/parser
copying cclib/parser/turbomoleparser.py -> build/lib/cclib/parser
copying cclib/parser/qchemparser.py -> build/lib/cclib/parser
copying cclib/parser/psi4parser.py -> build/lib/cclib/parser
copying cclib/parser/psi3parser.py -> build/lib/cclib/parser
copying cclib/parser/orcaparser.py -> build/lib/cclib/parser
copying cclib/parser/nwchemparser.py -> build/lib/cclib/parser
copying cclib/parser/mopacparser.py -> build/lib/cclib/parser
copying cclib/parser/molproparser.py -> build/lib/cclib/parser
copying cclib/parser/molcasparser.py -> build/lib/cclib/parser
copying cclib/parser/logfileparser.py -> build/lib/cclib/parser
copying cclib/parser/jaguarparser.py -> build/lib/cclib/parser
copying cclib/parser/gaussianparser.py -> build/lib/cclib/parser
copying cclib/parser/gamessukparser.py -> build/lib/cclib/parser
copying cclib/parser/gamessparser.py -> build/lib/cclib/parser
copying cclib/parser/fchkparser.py -> build/lib/cclib/parser
copying cclib/parser/data.py -> build/lib/cclib/parser
copying cclib/parser/daltonparser.py -> build/lib/cclib/parser
copying cclib/parser/adfparser.py -> build/lib/cclib/parser
copying cclib/parser/__init__.py -> build/lib/cclib/parser
creating build/lib/cclib/method
copying cclib/method/volume.py -> build/lib/cclib/method
copying cclib/method/stockholder.py -> build/lib/cclib/method
copying cclib/method/population.py -> build/lib/cclib/method
copying cclib/method/orbitals.py -> build/lib/cclib/method
copying cclib/method/opa.py -> build/lib/cclib/method
copying cclib/method/nuclear.py -> build/lib/cclib/method
copying cclib/method/mpa.py -> build/lib/cclib/method
copying cclib/method/moments.py -> build/lib/cclib/method
copying cclib/method/mbo.py -> build/lib/cclib/method
copying cclib/method/lpa.py -> build/lib/cclib/method
copying cclib/method/hirshfeld.py -> build/lib/cclib/method
copying cclib/method/fragments.py -> build/lib/cclib/method
copying cclib/method/electrons.py -> build/lib/cclib/method
copying cclib/method/density.py -> build/lib/cclib/method
copying cclib/method/ddec.py -> build/lib/cclib/method
copying cclib/method/cspa.py -> build/lib/cclib/method
copying cclib/method/cda.py -> build/lib/cclib/method
copying cclib/method/calculationmethod.py -> build/lib/cclib/method
copying cclib/method/bickelhaupt.py -> build/lib/cclib/method
copying cclib/method/bader.py -> build/lib/cclib/method
copying cclib/method/__init__.py -> build/lib/cclib/method
creating build/lib/cclib/io
copying cclib/io/xyzwriter.py -> build/lib/cclib/io
copying cclib/io/xyzreader.py -> build/lib/cclib/io
copying cclib/io/wfxwriter.py -> build/lib/cclib/io
copying cclib/io/moldenwriter.py -> build/lib/cclib/io
copying cclib/io/filewriter.py -> build/lib/cclib/io
copying cclib/io/filereader.py -> build/lib/cclib/io
copying cclib/io/cmlwriter.py -> build/lib/cclib/io
copying cclib/io/cjsonwriter.py -> build/lib/cclib/io
copying cclib/io/cjsonreader.py -> build/lib/cclib/io
copying cclib/io/ccio.py -> build/lib/cclib/io
copying cclib/io/__init__.py -> build/lib/cclib/io
creating build/lib/cclib/bridge
copying cclib/bridge/cclib2pyscf.py -> build/lib/cclib/bridge
copying cclib/bridge/cclib2pyquante.py -> build/lib/cclib/bridge
copying cclib/bridge/cclib2psi4.py -> build/lib/cclib/bridge
copying cclib/bridge/cclib2openbabel.py -> build/lib/cclib/bridge
copying cclib/bridge/cclib2horton.py -> build/lib/cclib/bridge
copying cclib/bridge/cclib2biopython.py -> build/lib/cclib/bridge
copying cclib/bridge/cclib2ase.py -> build/lib/cclib/bridge
copying cclib/bridge/__init__.py -> build/lib/cclib/bridge
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.NwQW8Q
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64
++ dirname /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes'
+ /usr/bin/python3 setup.py install -O1 --skip-build --root /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64 --prefix /usr
running install
/usr/lib/python3.11/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.
warnings.warn(
running install_lib
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2ase.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2biopython.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2horton.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2openbabel.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2psi4.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2pyquante.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
copying build/lib/cclib/bridge/cclib2pyscf.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/ccio.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/cjsonreader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/cjsonwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/cmlwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/filereader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/filewriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/moldenwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/wfxwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/xyzreader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
copying build/lib/cclib/io/xyzwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/bader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/bickelhaupt.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/calculationmethod.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/cda.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/cspa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/ddec.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/density.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/electrons.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/fragments.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/hirshfeld.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/lpa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/mbo.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/moments.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/mpa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/nuclear.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/opa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/orbitals.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/population.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/stockholder.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
copying build/lib/cclib/method/volume.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/adfparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/daltonparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/data.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/fchkparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/gamessparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/gamessukparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/gaussianparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/jaguarparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/logfileparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/molcasparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/molproparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/mopacparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/nwchemparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/orcaparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/psi3parser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/psi4parser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/qchemparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/turbomoleparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
copying build/lib/cclib/parser/utils.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress
copying build/lib/cclib/progress/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress
copying build/lib/cclib/progress/qt4progress.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress
copying build/lib/cclib/progress/textprogress.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress
creating /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts
copying build/lib/cclib/scripts/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts
copying build/lib/cclib/scripts/ccframe.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts
copying build/lib/cclib/scripts/ccget.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts
copying build/lib/cclib/scripts/ccwrite.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts
copying build/lib/cclib/scripts/cda.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts
copying build/lib/cclib/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2ase.py to cclib2ase.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2biopython.py to cclib2biopython.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2horton.py to cclib2horton.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2openbabel.py to cclib2openbabel.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2psi4.py to cclib2psi4.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2pyquante.py to cclib2pyquante.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2pyscf.py to cclib2pyscf.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/ccio.py to ccio.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/cjsonreader.py to cjsonreader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/cjsonwriter.py to cjsonwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/cmlwriter.py to cmlwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/filereader.py to filereader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/filewriter.py to filewriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/moldenwriter.py to moldenwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/wfxwriter.py to wfxwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/xyzreader.py to xyzreader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/xyzwriter.py to xyzwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/bader.py to bader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/bickelhaupt.py to bickelhaupt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/calculationmethod.py to calculationmethod.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/cda.py to cda.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/cspa.py to cspa.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/ddec.py to ddec.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/density.py to density.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/electrons.py to electrons.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/fragments.py to fragments.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/hirshfeld.py to hirshfeld.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/lpa.py to lpa.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/mbo.py to mbo.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/moments.py to moments.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/mpa.py to mpa.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/nuclear.py to nuclear.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/opa.py to opa.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/orbitals.py to orbitals.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/population.py to population.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/stockholder.py to stockholder.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/volume.py to volume.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/adfparser.py to adfparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/daltonparser.py to daltonparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/data.py to data.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/fchkparser.py to fchkparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/gamessparser.py to gamessparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/gamessukparser.py to gamessukparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/gaussianparser.py to gaussianparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/jaguarparser.py to jaguarparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/logfileparser.py to logfileparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/molcasparser.py to molcasparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/molproparser.py to molproparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/mopacparser.py to mopacparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/nwchemparser.py to nwchemparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/orcaparser.py to orcaparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/psi3parser.py to psi3parser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/psi4parser.py to psi4parser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/qchemparser.py to qchemparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/turbomoleparser.py to turbomoleparser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/utils.py to utils.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress/qt4progress.py to qt4progress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress/textprogress.py to textprogress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py to ccframe.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py to ccget.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py to ccwrite.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py to cda.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/__init__.py to __init__.cpython-311.pyc
writing byte-compilation script '/tmp/tmpea21i0xb.py'
/usr/bin/python3 /tmp/tmpea21i0xb.py
removing /tmp/tmpea21i0xb.py
running install_egg_info
running egg_info
creating cclib.egg-info
writing cclib.egg-info/PKG-INFO
writing dependency_links to cclib.egg-info/dependency_links.txt
writing entry points to cclib.egg-info/entry_points.txt
writing requirements to cclib.egg-info/requires.txt
writing top-level names to cclib.egg-info/top_level.txt
writing manifest file 'cclib.egg-info/SOURCES.txt'
reading manifest file 'cclib.egg-info/SOURCES.txt'
adding license file 'LICENSE'
writing manifest file 'cclib.egg-info/SOURCES.txt'
Copying cclib.egg-info to /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info
running install_scripts
Installing ccframe script to /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/bin
Installing ccget script to /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/bin
Installing ccwrite script to /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/bin
Installing cda script to /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/bin
+ rm -rfv /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/bin/__pycache__
+ for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py
+ sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py
+ touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py.new
+ mv /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py
+ for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py
+ sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py
+ touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py.new
+ mv /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py
+ for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py
+ sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py
+ touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py.new
+ mv /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py
+ for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py
+ sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py
+ touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py.new
+ mv /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py
+ for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py
+ sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py
+ touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py.new
+ mv /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py
+ /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 1.7.1-3.20220618git8e6892a5.fc38 --unique-debug-suffix -1.7.1-3.20220618git8e6892a5.fc38.x86_64 --unique-debug-src-base python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b
find: 'debug': No such file or directory
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j2
Bytecompiling .py files below /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11 using python3.11
+ /usr/lib/rpm/redhat/brp-python-hardlink
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.J5OtwQ
+ umask 022
+ cd /builddir/build/BUILD
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ PYTHONPATH=/builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages
+ /usr/bin/python3 -m test.test_data
<frozen runpy>:128: RuntimeWarning: 'test.test_data' found in sys.modules after import of package 'test', but prior to execution of 'test.test_data'; this may result in unpredictable behaviour
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_sp_hf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_sp_hf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_sp_ks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_sp_ks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/dvb_sp_b.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_sp_hf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_sp_ks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_sp_hf.out: Customized basis set unittest ***
testcoeffs (test.data.testBasis.JaguarBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.JaguarBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.JaguarBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.JaguarBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.JaguarBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.JaguarBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_sp_ks.out: Customized basis set unittest ***
testcoeffs (test.data.testBasis.JaguarBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.JaguarBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.JaguarBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.JaguarBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.JaguarBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.JaguarBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/dvb_sphf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/dvb_sphf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_sp_hf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_sp_ks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_sp_hf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_sp_ks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_rhf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_rks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_rhf.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_rks.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_sp.out: Generic basis set unittest ***
testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok
testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok
testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.DALTONBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.DALTONBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.DALTONBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.DALTONBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.DALTONBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.DALTONBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.DALTONBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.DALTONBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.DALTONBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.DALTONBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.DALTONBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.DALTONBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/C_bigbasis.out: Generic big basis set unittest ***
testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/C_bigbasis.out: Generic big basis set unittest ***
testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/C_bigbasis.out: Generic big basis set unittest ***
testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.GaussianBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GaussianBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GaussianBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GaussianBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GaussianBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GaussianBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.GaussianBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GaussianBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GaussianBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GaussianBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GaussianBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GaussianBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
*** basicJaguar8.3/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.JaguarBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.JaguarBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.JaguarBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.JaguarBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.JaguarBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.JaguarBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.MolcasBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.MolcasBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.MolcasBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.MolcasBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.MolcasBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.MolcasBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.MolproBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.MolproBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.MolproBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.MolproBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.MolproBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.MolproBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.MolproBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.MolproBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.MolproBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.MolproBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.MolproBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.MolproBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/C_bigbasis.out: Generic big basis set unittest ***
testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/C_bigbasis.out: Generic big basis set unittest ***
testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.Psi4BigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.Psi4BigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.Psi4BigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.Psi4BigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.Psi4BigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.Psi4BigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.Psi4BigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.Psi4BigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.Psi4BigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.Psi4BigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.Psi4BigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.Psi4BigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.QChemBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.QChemBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.QChemBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.QChemBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.QChemBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.QChemBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/C_bigbasis.out: Customized big basis set unittest ***
testcoeffs (test.data.testBasis.QChemBigBasisTest.testcoeffs)
Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.'
testcontractions (test.data.testBasis.QChemBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.'
testgbasis (test.data.testBasis.QChemBigBasisTest.testgbasis) ... ok
testnames (test.data.testBasis.QChemBigBasisTest.testnames) ... ok
testprimitives (test.data.testBasis.QChemBigBasisTest.testprimitives) ... ok
testsizeofbasis (test.data.testBasis.QChemBigBasisTest.testsizeofbasis) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_bomd.out: Customized Born-Oppenheimer molecular dynamics unittest ***
testdimatomcoords (test.data.testBOMD.GaussianBOMDTest.testdimatomcoords)
Are the number of parsed geometries consistent with the number of ... ok
testdimscfenergies (test.data.testBOMD.GaussianBOMDTest.testdimscfenergies)
Are the number of parsed energies consistent with the number of MD ... ok
testdimtime (test.data.testBOMD.GaussianBOMDTest.testdimtime)
Are the number of time points consistent with the number of MD ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.6/dvb_bomd_ks.out: Generic Born-Oppenheimer molecular dynamics unittest ***
testdimatomcoords (test.data.testBOMD.GenericBOMDTest.testdimatomcoords)
Are the number of parsed geometries consistent with the number of ... ok
testdimscfenergies (test.data.testBOMD.GenericBOMDTest.testdimscfenergies)
Are the number of parsed energies consistent with the number of MD ... ok
testdimtime (test.data.testBOMD.GenericBOMDTest.testdimtime)
Are the number of time points consistent with the number of MD ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_bomd.out: Generic Born-Oppenheimer molecular dynamics unittest ***
testdimatomcoords (test.data.testBOMD.GenericBOMDTest.testdimatomcoords)
Are the number of parsed geometries consistent with the number of ... ok
testdimscfenergies (test.data.testBOMD.GenericBOMDTest.testdimscfenergies)
Are the number of parsed energies consistent with the number of MD ... ok
testdimtime (test.data.testBOMD.GenericBOMDTest.testdimtime)
Are the number of time points consistent with the number of MD ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_bomd.out: Generic Born-Oppenheimer molecular dynamics unittest ***
testdimatomcoords (test.data.testBOMD.GenericBOMDTest.testdimatomcoords)
Are the number of parsed geometries consistent with the number of ... ok
testdimscfenergies (test.data.testBOMD.GenericBOMDTest.testdimscfenergies)
Are the number of parsed energies consistent with the number of MD ... ok
testdimtime (test.data.testBOMD.GenericBOMDTest.testdimtime)
Are the number of time points consistent with the number of MD ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/water_ccsdt.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/water_ccsdt.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/water_ccd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/water_ccd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_ccd.log: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_ccd.log: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_ccsd.log: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_ccsd.log: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_ccsdt.log: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_ccsdt.log: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/h2o_ccd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/h2o_ccd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/h2o_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/h2o_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/h2o_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/h2o_ccsdt.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/water_ccsd_t.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/water_ccsd_t.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/water_ccsd_t.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_ccd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_ccd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_ccsd.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_ccsd(t).out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.2/water_ccsd/basis,water_ccsd/control,water_ccsd/mos,water_ccsd/dscf.out,water_ccsd/ccsdf12.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/water_ccsd/basis,water_ccsd/control,water_ccsd/mos,water_ccsd/dscf.out,water_ccsd/ccsdf12.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/water_cc2/basis,water_cc2/control,water_cc2/mos,water_cc2/dscf.out,water_cc2/ricc2.out: Generic coupled cluster unittest ***
testsign (test.data.testCC.GenericCCTest.testsign)
Are the coupled cluster corrections negative? ... ok
testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape)
Are the dimensions of ccenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/water_cis_saps.out: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.GAMESSCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.GAMESSCISTest.testetsecsvalues) ... ok
testnocoeffs (test.data.testCI.GAMESSCISTest.testnocoeffs)
Are natural orbital coefficients the right size? ... ok
testnooccnos (test.data.testCI.GAMESSCISTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
testsecs (test.data.testCI.GAMESSCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 5 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/water_cis_saps.out: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.GAMESSCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.GAMESSCISTest.testetsecsvalues) ... ok
testnocoeffs (test.data.testCI.GAMESSCISTest.testnocoeffs)
Are natural orbital coefficients the right size? ... ok
testnooccnos (test.data.testCI.GAMESSCISTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
testsecs (test.data.testCI.GAMESSCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 5 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_cis.log: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.GaussianCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.GaussianCISTest.testetsecsvalues) ... ok
testnocoeffs (test.data.testCI.GaussianCISTest.testnocoeffs)
Are natural orbital coefficients the right size? ... ok
testnooccnos (test.data.testCI.GaussianCISTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
testsecs (test.data.testCI.GaussianCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 5 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_cis.log: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.GaussianCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.GaussianCISTest.testetsecsvalues) ... ok
testnocoeffs (test.data.testCI.GaussianCISTest.testnocoeffs)
Are natural orbital coefficients the right size? ... ok
testnooccnos (test.data.testCI.GaussianCISTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
testsecs (test.data.testCI.GaussianCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 5 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar7.0/water_cis.out: Generic CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.GenericCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.GenericCISTest.testetsecsvalues) ... ok
testsecs (test.data.testCI.GenericCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/water_cis.out: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.Jaguar83CISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.Jaguar83CISTest.testetsecsvalues) ... ok
testsecs (test.data.testCI.Jaguar83CISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_cis.out: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.QChemCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.QChemCISTest.testetsecsvalues) ... ok
testsecs (test.data.testCI.QChemCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_cis.out: Customized CIS(RHF)/STO-3G water unittest ***
testetenergiesvalues (test.data.testCI.QChemCISTest.testetenergiesvalues) ... ok
testetsecsvalues (test.data.testCI.QChemCISTest.testetsecsvalues) ... ok
testsecs (test.data.testCI.QChemCISTest.testsecs) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2007.01/MoOCl4-sp.adfout: Customized core electrons unittest ***
testcharge (test.data.testCore.ADFCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.ADFCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2013.01/MoOCl4-sp.adfout: Customized core electrons unittest ***
testcharge (test.data.testCore.ADFCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.ADFCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.2/MoOCl4_sp_modified.FChk: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... skipped 'Core electrons do not seem to be available'
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/MoOCl4-sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/MoOCl4-sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/MoOCl4-sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/MoOCl4-sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/Mo4OCl4-sp.log: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/Mo4OCl4-sp.log: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/MoOCl4-sp.out: Customized core electrons unittest ***
testcharge (test.data.testCore.JaguarCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.JaguarCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/MoOCl4_sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/MoOCl4_sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/MoOCl4_sp.out: Generic core electrons unittest ***
testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok
testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2007.01/dvb_gopt_b.adfout: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.ADFGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.ADFGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.ADFGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.ADFGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.ADFGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.ADFGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.ADFGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.ADFGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.ADFGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.ADFGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.ADFGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.ADFGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.ADFGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.ADFGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.ADFGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.ADFGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.ADFGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2013.01/dvb_gopt_b.adfout: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.ADFGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.ADFGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.ADFGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.ADFGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.ADFGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.ADFGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.ADFGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.ADFGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.ADFGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.ADFGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.ADFGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.ADFGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.ADFGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.ADFGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.ADFGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.ADFGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.ADFGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_gopt_hf.out: Customzed geometry optimization unittest ***
test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_gopt_ks.out: Customzed geometry optimization unittest ***
test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_gopt_hf.out: Customzed geometry optimization unittest ***
test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_gopt_ks.out: Customzed geometry optimization unittest ***
test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/dvb_gopt_d.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_gopt_hf.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_gopt_ks.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_gopt_a.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_gopt_a.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_gopt_a.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_gopt.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.GaussianGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GaussianGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GaussianGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GaussianGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GaussianGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GaussianGeoOptTest.testgradsdim) ... ok
testgradsorientation (test.data.testGeoOpt.GaussianGeoOptTest.testgradsorientation)
Are the orientations for grads and atomcoords are same? ... ok
testhomos (test.data.testGeoOpt.GaussianGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GaussianGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GaussianGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GaussianGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GaussianGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GaussianGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GaussianGeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GaussianGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GaussianGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 22 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_gopt.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.GaussianGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GaussianGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GaussianGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GaussianGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GaussianGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GaussianGeoOptTest.testgradsdim) ... ok
testgradsorientation (test.data.testGeoOpt.GaussianGeoOptTest.testgradsorientation)
Are the orientations for grads and atomcoords are same? ... ok
testhomos (test.data.testGeoOpt.GaussianGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GaussianGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GaussianGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GaussianGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GaussianGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GaussianGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GaussianGeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GaussianGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GaussianGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 22 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar7.0/dvb_gopt_b.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_gopt_hf.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_gopt_ks.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/dvb_gopt.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.MolcasGeoOptTest.test_success) ... skipped 'The parser is still being developed so we skip this test'
testatomcoords (test.data.testGeoOpt.MolcasGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.MolcasGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.MolcasGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.MolcasGeoOptTest.testcharge_and_mult) ... skipped 'The parser is still being developed so we skip this test'
testcoreelectrons (test.data.testGeoOpt.MolcasGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.MolcasGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.MolcasGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.MolcasGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.MolcasGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.MolcasGeoOptTest.testhomos) ... skipped 'The parser is still being developed so we skip this test'
testmoenergies (test.data.testGeoOpt.MolcasGeoOptTest.testmoenergies) ... skipped 'The parser is still being developed so we skip this test'
testnatom (test.data.testGeoOpt.MolcasGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.MolcasGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.MolcasGeoOptTest.testnormalisesym) ... skipped 'The parser is still being developed so we skip this test'
testoptdone (test.data.testGeoOpt.MolcasGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.MolcasGeoOptTest.testoptstatus) ... skipped 'The parser is still being developed so we skip this test'
testscfenergy (test.data.testGeoOpt.MolcasGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.MolcasGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.MolcasGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.MolcasGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=6)
*** basicMolpro2006/dvb_gopt.out,dvb_gopt.log: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.MolproGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
testatomcoords_units (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.MolproGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.MolproGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.MolproGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.MolproGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.MolproGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.MolproGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.MolproGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.MolproGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.MolproGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.MolproGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.MolproGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.MolproGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.MolproGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.MolproGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.MolproGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.MolproGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/dvb_gopt.out,dvb_gopt.log: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.MolproGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.MolproGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.MolproGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.MolproGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.MolproGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.MolproGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.MolproGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.MolproGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.MolproGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.MolproGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.MolproGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.MolproGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.MolproGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.MolproGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.MolproGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.MolproGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.MolproGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMOPAC2016/dvb_gopt.out: Customized geometry optimization unittest for MOPAC. ***
test_success (test.data.testGeoOpt.MOPACGeoOptTest.test_success) ... skipped 'The success status is not parsed yet'
testatomcoords (test.data.testGeoOpt.MOPACGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.MOPACGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.MOPACGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.MOPACGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.MOPACGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.MOPACGeoOptTest.testgeotargets) ... skipped 'Not implemented.'
testgeovalues_atomcoords (test.data.testGeoOpt.MOPACGeoOptTest.testgeovalues_atomcoords) ... skipped 'Not implemented.'
testgeovalues_scfvalues (test.data.testGeoOpt.MOPACGeoOptTest.testgeovalues_scfvalues) ... skipped 'Not implemented.'
testgradsdim (test.data.testGeoOpt.MOPACGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.MOPACGeoOptTest.testhomos) ... skipped 'Not implemented.'
testmoenergies (test.data.testGeoOpt.MOPACGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.MOPACGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.MOPACGeoOptTest.testnbasis) ... skipped 'Not implemented.'
testnormalisesym (test.data.testGeoOpt.MOPACGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.MOPACGeoOptTest.testoptdone) ... skipped 'Not implemented.'
testoptstatus (test.data.testGeoOpt.MOPACGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.MOPACGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.MOPACGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.MOPACGeoOptTest.testscftargetdim) ... skipped 'The scftargets attribute is not parsed yet'
testscfvaluetype (test.data.testGeoOpt.MOPACGeoOptTest.testscfvaluetype) ... skipped 'The scfvalues attribute is not parsed yet'
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=11)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_gopt_hf.out: Customized restricted single point HF unittest ***
test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_gopt_ks.out: Customized restricted single point HF unittest ***
test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_gopt_hf.out: Customized restricted single point HF unittest ***
test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_gopt_ks.out: Customized restricted single point HF unittest ***
test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.'
testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_gopt.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.OrcaGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.OrcaGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.OrcaGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.OrcaGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.OrcaGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.OrcaGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.OrcaGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.OrcaGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.OrcaGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.OrcaGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.OrcaGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.OrcaGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.OrcaGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.OrcaGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.OrcaGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_gopt.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.OrcaGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.OrcaGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.OrcaGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.OrcaGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.OrcaGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.OrcaGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.OrcaGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.OrcaGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.OrcaGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.OrcaGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.OrcaGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.OrcaGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.OrcaGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.OrcaGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.OrcaGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_gopt.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.OrcaGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.OrcaGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.OrcaGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.OrcaGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.OrcaGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.OrcaGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.OrcaGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.OrcaGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.OrcaGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.OrcaGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.OrcaGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.OrcaGeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.OrcaGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.OrcaGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.OrcaGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_gopt_rhf.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_gopt_rks.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_gopt_rhf.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_gopt_rks.out: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone)
Has the geometry converged and set optdone to True? ... ok
testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_gopt.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_gopt.out: Generic geometry optimization unittest ***
test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok
testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.'
testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole5.9/dvb_gopt/basis,dvb_gopt/control,dvb_gopt/mos,dvb_gopt/job.last: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.TurbomoleGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.TurbomoleGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.TurbomoleGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.TurbomoleGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.TurbomoleGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.TurbomoleGeoOptTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test'
testgeotargets (test.data.testGeoOpt.TurbomoleGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.TurbomoleGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.TurbomoleGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.TurbomoleGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.TurbomoleGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.TurbomoleGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.TurbomoleGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.TurbomoleGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.TurbomoleGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.TurbomoleGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.TurbomoleGeoOptTest.testoptstatus)
Is optstatus consistent with geovalues and reasonable? ... ok
testscfenergy (test.data.testGeoOpt.TurbomoleGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.TurbomoleGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.TurbomoleGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.TurbomoleGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.5/dvb_gopt/basis,dvb_gopt/control,dvb_gopt/mos,dvb_gopt/job.0,dvb_gopt/job.1,dvb_gopt/job.2,dvb_gopt/job.3,dvb_gopt/job.4,dvb_gopt/job.5,dvb_gopt/job.last: Customized geometry optimization unittest ***
test_success (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.test_success) ... ok
testatomcoords (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testatomcoords)
Are atomcoords consistent with natom and Angstroms? ... ok
testatomcoords_units (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatomnos (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test'
testgeotargets (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgeotargets) ... ok
testgeovalues_atomcoords (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgeovalues_atomcoords) ... ok
testgeovalues_scfvalues (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgeovalues_scfvalues) ... ok
testgradsdim (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgradsdim) ... ok
testhomos (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testhomos) ... ok
testmoenergies (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testmoenergies) ... ok
testnatom (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testnbasis) ... ok
testnormalisesym (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testnormalisesym) ... ok
testoptdone (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testoptdone) ... ok
testoptstatus (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testoptstatus) ... ok
testscfenergy (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscfenergy)
Is the SCF energy close to target? ... ok
testscfenergydim (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscfenergydim)
Is the number of SCF energies consistent with atomcoords? ... ok
testscftargetdim (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscftargetdim) ... ok
testscfvaluetype (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscfvaluetype) ... ok
----------------------------------------------------------------------
Ran 21 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_mp2.log: Customized MP2 unittest ***
testnocoeffs (test.data.testMP.GaussianMP2Test.testnocoeffs)
Are natural orbital occupation numbers the right size? ... ok
testsign (test.data.testMP.GaussianMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_mp2.log: Customized MP2 unittest ***
testnocoeffs (test.data.testMP.GaussianMP2Test.testnocoeffs)
Are natural orbital occupation numbers the right size? ... ok
testsign (test.data.testMP.GaussianMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_mp3.log: Customized MP3 unittest ***
testsign (test.data.testMP.GaussianMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_mp3.log: Customized MP3 unittest ***
testsign (test.data.testMP.GaussianMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_mp4sdq.log: Customized MP4-SDQ unittest ***
testsign (test.data.testMP.GaussianMP4SDQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP4SDQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_mp4sdq.log: Customized MP4-SDQ unittest ***
testsign (test.data.testMP.GaussianMP4SDQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP4SDQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_mp4.log: Customized MP4-SDTQ unittest ***
testsign (test.data.testMP.GaussianMP4SDTQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP4SDTQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_mp4.log: Customized MP4-SDTQ unittest ***
testsign (test.data.testMP.GaussianMP4SDTQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GaussianMP4SDTQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/water_mp5.log: Generic MP5 unittest ***
testsign (test.data.testMP.GenericMP5Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP5Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/water_mp5.log: Generic MP5 unittest ***
testsign (test.data.testMP.GenericMP5Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP5Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar7.0/water_lmp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/water_lmp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/h2o_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/h2o_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/h2o_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/h2o_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/h2o_mp4.out: Generic MP4(SDTQ) unittest ***
testsign (test.data.testMP.GenericMP4SDTQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP4SDTQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/h2o_mp4.out: Generic MP4(SDTQ) unittest ***
testsign (test.data.testMP.GenericMP4SDTQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP4SDTQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/water_mbpt2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_mp4sdq.out: Customized MP4-SDQ unittest ***
testsign (test.data.testMP.QChemMP4SDQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.QChemMP4SDQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/water_mp4.out: Customized MP4-SD(T)Q unittest ***
testsign (test.data.testMP.QChemMP4SDTQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.QChemMP4SDTQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_mp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_mp3.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_mp4sdq.out: Customized MP4-SDQ unittest ***
testsign (test.data.testMP.QChemMP4SDQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.QChemMP4SDQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/water_mp4.out: Customized MP4-SD(T)Q unittest ***
testsign (test.data.testMP.QChemMP4SDTQTest.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.QChemMP4SDTQTest.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.2/water_mp2/basis,water_mp2/control,water_mp2/coord,water_mp2/mos,water_mp2/dscf.out,water_mp2/ccsdf12.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/water_mp2/basis,water_mp2/control,water_mp2/coord,water_mp2/mos,water_mp2/dscf.out,water_mp2/ccsdf12.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/water_mp2_rimp2/basis,water_mp2_rimp2/control,water_mp2_rimp2/coord,water_mp2_rimp2/mos,water_mp2_rimp2/dscf.out,water_mp2_rimp2/rimp2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/water_mp2_ricc2/basis,water_mp2_ricc2/control,water_mp2_ricc2/coord,water_mp2_ricc2/mos,water_mp2_ricc2/dscf.out,water_mp2_ricc2/ricc2.out: Generic MP2 unittest ***
testsign (test.data.testMP.GenericMP2Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/water_mp3/basis,water_mp3/control,water_mp3/coord,water_mp3/mos,water_mp3/dscf.out,water_mp3/ccsdf12.out: Generic MP3 unittest ***
testsign (test.data.testMP.GenericMP3Test.testsign)
Are the Moller-Plesset corrections negative? ... ok
testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape)
(MP2) Are the dimensions of mpenergies correct? ... ok
----------------------------------------------------------------------
Ran 2 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_nmr.out: Generic NMR unittest ***
testsize (test.data.testNMR.GenericNMRTest.testsize)
Check to make sure there are the correct number of tensors parsed ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_nmr.out: Generic NMR unittest ***
testsize (test.data.testNMR.GenericNMRTest.testsize)
Check to make sure there are the correct number of tensors parsed ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_nmr.out: Generic NMR unittest ***
testsize (test.data.testNMR.GenericNMRTest.testsize)
Check to make sure there are the correct number of tensors parsed ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/Trp_polar_abalnr.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/Trp_polar_tdhf.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/Trp_polar_tdhf.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/Trp_polar.log: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/Trp_polar.log: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/Trp_polar_G16C01.log: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/Trp_polar.out: Customized static polarizability unittest ***
testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok
testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok
testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_scan.log: Generic relaxed potential energy surface scan unittest. ***
testindices (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testindices) ... ok
testoptdone (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptdone) ... ok
testoptstatus (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptstatus) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_scan.log: Customized relaxed potential energy surface scan unittest ***
testindices (test.data.testScan.GaussianRelaxedScanTest.testindices) ... ok
testnumindices (test.data.testScan.GaussianRelaxedScanTest.testnumindices) ... ok
testoptstatus (test.data.testScan.GaussianRelaxedScanTest.testoptstatus) ... ok
testscanenergies (test.data.testScan.GaussianRelaxedScanTest.testscanenergies) ... ok
testscannames (test.data.testScan.GaussianRelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GaussianRelaxedScanTest.testscanparm) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_scan_relaxed.log: Generic relaxed potential energy surface scan unittest. ***
testindices (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testindices) ... ok
testoptdone (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptdone) ... ok
testoptstatus (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptstatus) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_scan_relaxed.log: Customized relaxed potential energy surface scan unittest ***
testindices (test.data.testScan.GaussianRelaxedScanTest.testindices) ... ok
testnumindices (test.data.testScan.GaussianRelaxedScanTest.testnumindices) ... ok
testoptstatus (test.data.testScan.GaussianRelaxedScanTest.testoptstatus) ... ok
testscanenergies (test.data.testScan.GaussianRelaxedScanTest.testscanenergies) ... ok
testscannames (test.data.testScan.GaussianRelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GaussianRelaxedScanTest.testscanparm) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_scan_unrelaxed.log: Customized unrelaxed potential energy surface scan unittest ***
testscanenergies (test.data.testScan.GaussianUnrelaxedScanTest.testscanenergies) ... ok
testscannames (test.data.testScan.GaussianUnrelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GaussianUnrelaxedScanTest.testscanparm) ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_scan.out: Generic relaxed potential energy surface scan unittest. ***
testindices (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testindices) ... ok
testoptdone (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptdone) ... ok
testoptstatus (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptstatus) ... skipped 'Not implemented'
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_scan.out: Customized relaxed potential energy surface scan unittest ***
testindices (test.data.testScan.JaguarRelaxedScanTest.testindices) ... skipped 'Does not work as expected'
testnumindices (test.data.testScan.JaguarRelaxedScanTest.testnumindices) ... ok
testoptstatus (test.data.testScan.JaguarRelaxedScanTest.testoptstatus) ... skipped 'Not implemented'
testscanenergies (test.data.testScan.JaguarRelaxedScanTest.testscanenergies) ... skipped 'Not implemented'
testscannames (test.data.testScan.JaguarRelaxedScanTest.testscannames) ... skipped 'Not implemented'
testscanparm (test.data.testScan.JaguarRelaxedScanTest.testscanparm) ... skipped 'Not implemented'
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=5)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_scan.out: Generic relaxed potential energy surface scan unittest. ***
testindices (test.data.testScan.GenericRelaxedScanTest.testindices) ... skipped 'Does not work as expected'
testnumindices (test.data.testScan.GenericRelaxedScanTest.testnumindices) ... ok
testoptstatus (test.data.testScan.GenericRelaxedScanTest.testoptstatus) ... skipped 'Not implemented'
testscanenergies (test.data.testScan.GenericRelaxedScanTest.testscanenergies) ... skipped 'Not implemented'
testscannames (test.data.testScan.GenericRelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GenericRelaxedScanTest.testscanparm) ... skipped 'Not implemented'
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_scan_unrelaxed.out: Generic unrelaxed potential energy surface scan unittest. ***
testscanenergies (test.data.testScan.GenericUnrelaxedScanTest.testscanenergies) ... skipped 'Not implemented'
testscannames (test.data.testScan.GenericUnrelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GenericUnrelaxedScanTest.testscanparm) ... skipped 'Not implemented'
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_scan.out: Generic relaxed potential energy surface scan unittest. ***
testindices (test.data.testScan.GenericRelaxedScanTest.testindices) ... skipped 'Does not work as expected'
testnumindices (test.data.testScan.GenericRelaxedScanTest.testnumindices) ... ok
testoptstatus (test.data.testScan.GenericRelaxedScanTest.testoptstatus) ... skipped 'Not implemented'
testscanenergies (test.data.testScan.GenericRelaxedScanTest.testscanenergies) ... skipped 'Not implemented'
testscannames (test.data.testScan.GenericRelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GenericRelaxedScanTest.testscanparm) ... skipped 'Not implemented'
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_scan_unrelaxed.out: Generic unrelaxed potential energy surface scan unittest. ***
testscanenergies (test.data.testScan.GenericUnrelaxedScanTest.testscanenergies) ... skipped 'Not implemented'
testscannames (test.data.testScan.GenericUnrelaxedScanTest.testscannames) ... ok
testscanparm (test.data.testScan.GenericUnrelaxedScanTest.testscanparm) ... skipped 'Not implemented'
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2007.01/dvb_sp_b.adfout: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.ADFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.ADFSPTest.testatombasis) ... skipped 'ADF parser does not extract atombasis'
testatomcharges (test.data.testSP.ADFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.ADFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.ADFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.ADFSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.ADFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.ADFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.ADFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.ADFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.ADFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.ADFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.ADFSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.ADFSPTest.testfornoormo) ... ok
testfoverlaps (test.data.testSP.ADFSPTest.testfoverlaps)
Are the dims and values of the fragment orbital overlap matrix correct? ... ok
testhomos (test.data.testSP.ADFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.ADFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.ADFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.ADFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.ADFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.ADFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.ADFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.ADFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.ADFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.ADFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.ADFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.ADFSPTest.testmoments) ... ok
testnatom (test.data.testSP.ADFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.ADFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.ADFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.ADFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.ADFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.ADFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.ADFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.ADFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.ADFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 36 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2013.01/dvb_sp_b.adfout: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.ADFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.ADFSPTest.testatombasis) ... skipped 'ADF parser does not extract atombasis'
testatomcharges (test.data.testSP.ADFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.ADFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.ADFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.ADFSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.ADFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.ADFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.ADFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.ADFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.ADFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.ADFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.ADFSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.ADFSPTest.testfornoormo) ... ok
testfoverlaps (test.data.testSP.ADFSPTest.testfoverlaps)
Are the dims and values of the fragment orbital overlap matrix correct? ... ok
testhomos (test.data.testSP.ADFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.ADFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.ADFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.ADFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.ADFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.ADFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.ADFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.ADFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.ADFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.ADFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.ADFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.ADFSPTest.testmoments) ... ok
testnatom (test.data.testSP.ADFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.ADFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.ADFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.ADFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.ADFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.ADFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.ADFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.ADFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.ADFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 36 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_sp_hf.out: None ***
testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI'
testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now'
testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GenericHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSP.GenericHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=6)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_sp_ks.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI'
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now'
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.004s
OK (skipped=6)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_sp_hf.out: None ***
testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI'
testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now'
testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GenericHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSP.GenericHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=6)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_sp_ks.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI'
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now'
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.004s
OK (skipped=6)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.2/dvb_sp_modified.FChk: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... skipped 'The parser is still being developed so we skip this test'
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'Formatted checkpoint files do not have a section for atommasses'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'Formatted checkpoint files do not have an input file section'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... skipped 'Formatted Checkpoint files do not have section for legacy package version'
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... skipped 'Formatted Checkpoint files do not have section for package version'
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... skipped 'point group symmetry cannot be printed'
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... skipped 'point group symmetry cannot be printed'
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... skipped 'The parser is still being developed so we skip this test'
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... skipped 'Formatted Checkpoint files do not have a section for SCF energy'
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... skipped 'Formatted Checkpoint files do not have a section for SCF convergence'
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... skipped 'Formatted Checkpoint files do not have a section for SCF convergence'
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... skipped 'Formatted Checkpoint files do not have a section for SCF energy'
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... skipped 'Formatted checkpoint files do not have a section for symmetry'
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=14)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/dvb_sp_b.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_sp_hf.out: None ***
testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_sp_ks.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_sp.out: None ***
testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_sp.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_sp.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.GaussianSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GaussianSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GaussianSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GaussianSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GaussianSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GaussianSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GaussianSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GaussianSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GaussianSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GaussianSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GaussianSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GaussianSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GaussianSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GaussianSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GaussianSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GaussianSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GaussianSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GaussianSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GaussianSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GaussianSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GaussianSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GaussianSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GaussianSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GaussianSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GaussianSPTest.testmetadata_times) ... ok
testmoments (test.data.testSP.GaussianSPTest.testmoments) ... skipped 'Logfile needs to be updated'
testnatom (test.data.testSP.GaussianSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GaussianSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GaussianSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GaussianSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GaussianSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GaussianSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GaussianSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GaussianSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GaussianSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.GaussianSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GaussianSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GaussianSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GaussianSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GaussianSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GaussianSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GaussianSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GaussianSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GaussianSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GaussianSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GaussianSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GaussianSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GaussianSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GaussianSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GaussianSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GaussianSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GaussianSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GaussianSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GaussianSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GaussianSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GaussianSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GaussianSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GaussianSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GaussianSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GaussianSPTest.testmetadata_times) ... ok
testmoments (test.data.testSP.GaussianSPTest.testmoments) ... skipped 'Logfile needs to be updated'
testnatom (test.data.testSP.GaussianSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GaussianSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GaussianSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GaussianSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GaussianSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GaussianSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GaussianSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GaussianSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GaussianSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_sp_no.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.GaussianSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GaussianSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GaussianSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GaussianSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GaussianSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GaussianSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.GaussianSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GaussianSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GaussianSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GaussianSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GaussianSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GaussianSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GaussianSPTest.testfirstmoenergy) ... skipped 'no energies for natural orbitals'
testfornoormo (test.data.testSP.GaussianSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GaussianSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GaussianSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GaussianSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GaussianSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GaussianSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GaussianSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GaussianSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GaussianSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GaussianSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GaussianSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GaussianSPTest.testmetadata_times) ... ok
testmoments (test.data.testSP.GaussianSPTest.testmoments) ... skipped 'Logfile needs to be updated'
testnatom (test.data.testSP.GaussianSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GaussianSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GaussianSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GaussianSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GaussianSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GaussianSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GaussianSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GaussianSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GaussianSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar7.0/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.Jaguar7SPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.Jaguar7SPTest.testatombasis) ... skipped 'Data file does not contain enough information. Can we make a new one?'
testatomcharges (test.data.testSP.Jaguar7SPTest.testatomcharges) ... skipped 'We did not print the atomic partial charges in the unit tests for this version'
testatomcoords (test.data.testSP.Jaguar7SPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.Jaguar7SPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.Jaguar7SPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.Jaguar7SPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.Jaguar7SPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.Jaguar7SPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.Jaguar7SPTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information. Can we make a new one?'
testdimnoccnos (test.data.testSP.Jaguar7SPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.Jaguar7SPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.Jaguar7SPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.Jaguar7SPTest.testfornoormo) ... skipped 'Data file does not contain enough information. Can we make a new one?'
testhomos (test.data.testSP.Jaguar7SPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.Jaguar7SPTest.testlengthmoenergies)
Is the number of evalues equal to the number of occ. MOs + 10? ... ok
testmetadata_basis_set (test.data.testSP.Jaguar7SPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.Jaguar7SPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.Jaguar7SPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.Jaguar7SPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.Jaguar7SPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.Jaguar7SPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.Jaguar7SPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.Jaguar7SPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.Jaguar7SPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.Jaguar7SPTest.testmoments) ... skipped 'No dipole moments in the logfile'
testnatom (test.data.testSP.Jaguar7SPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.Jaguar7SPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.Jaguar7SPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.Jaguar7SPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.Jaguar7SPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.Jaguar7SPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.Jaguar7SPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.Jaguar7SPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.Jaguar7SPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=8)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_sp_hf.out: Customized restricted single point KS unittest ***
testaooverlaps (test.data.testSP.JaguarHFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.JaguarHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.JaguarHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.JaguarHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.JaguarHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.JaguarHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.JaguarHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.JaguarHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.JaguarHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.JaguarHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.JaguarHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.JaguarHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.JaguarHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.JaguarHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.JaguarHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.JaguarHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.JaguarHFSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.JaguarHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.JaguarHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.JaguarHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.JaguarHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.JaguarHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.JaguarHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.JaguarHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.JaguarHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.JaguarHFSPTest.testmoments) ... skipped 'No dipole moments in the logfile'
testnatom (test.data.testSP.JaguarHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.JaguarHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.JaguarHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.JaguarHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.JaguarHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.JaguarHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.JaguarHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.JaguarHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.JaguarHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_sp_ks.out: Customized restricted single point KS unittest ***
testaooverlaps (test.data.testSP.JaguarSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.JaguarSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.JaguarSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.JaguarSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.JaguarSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.JaguarSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.JaguarSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.JaguarSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.JaguarSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.JaguarSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.JaguarSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.JaguarSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.JaguarSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.JaguarSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.JaguarSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.JaguarSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.JaguarSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.JaguarSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.JaguarSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.JaguarSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.JaguarSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.JaguarSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.JaguarSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.JaguarSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.JaguarSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.JaguarSPTest.testmoments) ... skipped 'No dipole moments in the logfile'
testnatom (test.data.testSP.JaguarSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.JaguarSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.JaguarSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.JaguarSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.JaguarSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.JaguarSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.JaguarSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.JaguarSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.JaguarSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.MolcasSPTest.testaooverlaps) ... skipped 'The parser is still being developed so we skip this test'
testatombasis (test.data.testSP.MolcasSPTest.testatombasis) ... skipped 'The parser is still being developed so we skip this test'
testatomcharges (test.data.testSP.MolcasSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.MolcasSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.MolcasSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.MolcasSPTest.testatommasses) ... skipped 'The parser is still being developed so we skip this test'
testatomnos (test.data.testSP.MolcasSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.MolcasSPTest.testcharge_and_mult) ... skipped 'missing mult'
testcoreelectrons (test.data.testSP.MolcasSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.MolcasSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.MolcasSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.MolcasSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.MolcasSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.MolcasSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.MolcasSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.MolcasSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.MolcasSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.MolcasSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.MolcasSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.MolcasSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.MolcasSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.MolcasSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.MolcasSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_symmetry_used (test.data.testSP.MolcasSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_times (test.data.testSP.MolcasSPTest.testmetadata_times) ... skipped ' reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.MolcasSPTest.testmoments) ... skipped 'The parser is still being developed so we skip this test'
testnatom (test.data.testSP.MolcasSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.MolcasSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.MolcasSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.MolcasSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.MolcasSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.MolcasSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.MolcasSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.MolcasSPTest.testsymlabels) ... skipped 'The parser is still being developed so we skip this test'
testtypemoenergies (test.data.testSP.MolcasSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.004s
OK (skipped=11)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/dvb_sphf.out: Customized restricted single point HF unittest ***
testaooverlaps (test.data.testSP.MolproSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.MolproSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.MolproSPTest.testatomcharges) ... skipped "These tests were run a long time ago and since we don't have access to Molpro 2006 anymore, we can skip this test (it is tested in 2012)"
testatomcoords (test.data.testSP.MolproSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.MolproSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.MolproSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.MolproSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.MolproSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.MolproSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.MolproSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.MolproSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.MolproSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.MolproSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.MolproSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.MolproSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.MolproSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.MolproSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.MolproSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.MolproSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.MolproSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.MolproSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.MolproSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.MolproSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_symmetry_used (test.data.testSP.MolproSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_times (test.data.testSP.MolproSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.MolproSPTest.testmoments) ... ok
testnatom (test.data.testSP.MolproSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.MolproSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.MolproSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.MolproSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.MolproSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.MolproSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.MolproSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.MolproSPTest.testsymlabels) ... skipped '?'
testtypemoenergies (test.data.testSP.MolproSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=7)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/dvb_sphf.out: Customized restricted single point HF unittest ***
testaooverlaps (test.data.testSP.MolproSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.MolproSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.MolproSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.MolproSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.MolproSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.MolproSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.MolproSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.MolproSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.MolproSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.MolproSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.MolproSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.MolproSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.MolproSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.MolproSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.MolproSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.MolproSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.MolproSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.MolproSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.MolproSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.MolproSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.MolproSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.MolproSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.MolproSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_symmetry_used (test.data.testSP.MolproSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_times (test.data.testSP.MolproSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.MolproSPTest.testmoments) ... ok
testnatom (test.data.testSP.MolproSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.MolproSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.MolproSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.MolproSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.MolproSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.MolproSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.MolproSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.MolproSPTest.testsymlabels) ... skipped '?'
testtypemoenergies (test.data.testSP.MolproSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=6)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_sp_hf.out: None ***
testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_sp_ks.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.NWChemKSSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.NWChemKSSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.NWChemKSSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.NWChemKSSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.NWChemKSSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.NWChemKSSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.NWChemKSSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.NWChemKSSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.NWChemKSSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.NWChemKSSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.NWChemKSSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.NWChemKSSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.NWChemKSSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.NWChemKSSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.NWChemKSSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.NWChemKSSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.NWChemKSSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.NWChemKSSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.NWChemKSSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.NWChemKSSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.NWChemKSSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.NWChemKSSPTest.testmoments) ... ok
testnatom (test.data.testSP.NWChemKSSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.NWChemKSSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.NWChemKSSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.NWChemKSSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.NWChemKSSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.NWChemKSSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.NWChemKSSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.NWChemKSSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.NWChemKSSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_sp_hf.out: None ***
testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_sp_ks.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.NWChemKSSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.NWChemKSSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.NWChemKSSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.NWChemKSSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.NWChemKSSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.NWChemKSSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.NWChemKSSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.NWChemKSSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.NWChemKSSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.NWChemKSSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.NWChemKSSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.NWChemKSSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.NWChemKSSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.NWChemKSSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.NWChemKSSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.NWChemKSSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.NWChemKSSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.NWChemKSSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.NWChemKSSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.NWChemKSSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.NWChemKSSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.NWChemKSSPTest.testmoments) ... ok
testnatom (test.data.testSP.NWChemKSSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.NWChemKSSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.NWChemKSSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.NWChemKSSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.NWChemKSSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.NWChemKSSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.NWChemKSSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.NWChemKSSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.NWChemKSSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.OrcaSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.OrcaSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.OrcaSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.OrcaSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.OrcaSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.OrcaSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.OrcaSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.OrcaSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.OrcaSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.OrcaSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.OrcaSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.OrcaSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.OrcaSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.OrcaSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.OrcaSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.OrcaSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.OrcaSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.OrcaSPTest.testmetadata_input_file) ... ok
testmetadata_legacy_package_version (test.data.testSP.OrcaSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.OrcaSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.OrcaSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.OrcaSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.OrcaSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.OrcaSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.OrcaSPTest.testmetadata_times) ... skipped 'reading cpu not implemented for this parser, wall time not available'
testmoments (test.data.testSP.OrcaSPTest.testmoments) ... ok
testnatom (test.data.testSP.OrcaSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.OrcaSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.OrcaSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.OrcaSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.OrcaSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.OrcaSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.OrcaSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.OrcaSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.OrcaSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.OrcaSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.OrcaSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.OrcaSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.OrcaSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.OrcaSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.OrcaSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.OrcaSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.OrcaSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.OrcaSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.OrcaSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.OrcaSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.OrcaSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.OrcaSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.OrcaSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.OrcaSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.OrcaSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.OrcaSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.OrcaSPTest.testmetadata_input_file) ... ok
testmetadata_legacy_package_version (test.data.testSP.OrcaSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.OrcaSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.OrcaSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.OrcaSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.OrcaSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.OrcaSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.OrcaSPTest.testmetadata_times) ... skipped 'reading cpu not implemented for this parser, wall time not available'
testmoments (test.data.testSP.OrcaSPTest.testmoments) ... ok
testnatom (test.data.testSP.OrcaSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.OrcaSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.OrcaSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.OrcaSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.OrcaSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.OrcaSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.OrcaSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.OrcaSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.OrcaSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_sp.out: Customized restricted single point unittest ***
testaooverlaps (test.data.testSP.OrcaSPTest.testaooverlaps) ... ok
testatombasis (test.data.testSP.OrcaSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.OrcaSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.OrcaSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.OrcaSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.OrcaSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.OrcaSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.OrcaSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.OrcaSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.OrcaSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.OrcaSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.OrcaSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.OrcaSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.OrcaSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.OrcaSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.OrcaSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.OrcaSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.OrcaSPTest.testmetadata_input_file) ... ok
testmetadata_legacy_package_version (test.data.testSP.OrcaSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.OrcaSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.OrcaSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.OrcaSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.OrcaSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.OrcaSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.OrcaSPTest.testmetadata_times) ... skipped 'reading cpu not implemented for this parser, wall time not available'
testmoments (test.data.testSP.OrcaSPTest.testmoments) ... ok
testnatom (test.data.testSP.OrcaSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.OrcaSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.OrcaSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.OrcaSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.OrcaSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.OrcaSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.OrcaSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.OrcaSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.OrcaSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_rhf.out: Customized restricted single point HF unittest ***
testaooverlaps (test.data.testSP.PsiHFSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix'
testatombasis (test.data.testSP.PsiHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.PsiHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.PsiHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.PsiHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.PsiHFSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.PsiHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.PsiHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.PsiHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.PsiHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.PsiHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.PsiHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.PsiHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.PsiHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.PsiHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.PsiHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.PsiHFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.PsiHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.PsiHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.PsiHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.PsiHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.PsiHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.PsiHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.PsiHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.PsiHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.PsiHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.PsiHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.PsiHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.PsiHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.PsiHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.PsiHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.PsiHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.PsiHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_rks.out: Customized restricted single point KS unittest ***
testaooverlaps (test.data.testSP.PsiSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix'
testatombasis (test.data.testSP.PsiSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.PsiSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.PsiSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.PsiSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.PsiSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.PsiSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.PsiSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.PsiSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.PsiSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.PsiSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.PsiSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.PsiSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.PsiSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.PsiSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.PsiSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.PsiSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.PsiSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.PsiSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.PsiSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.PsiSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.PsiSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.PsiSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.PsiSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.PsiSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.PsiSPTest.testmoments) ... ok
testnatom (test.data.testSP.PsiSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.PsiSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.PsiSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.PsiSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.PsiSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.PsiSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.PsiSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.PsiSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.PsiSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_rhf.out: Customized restricted single point HF unittest ***
testaooverlaps (test.data.testSP.PsiHFSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix'
testatombasis (test.data.testSP.PsiHFSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.PsiHFSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.PsiHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.PsiHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.PsiHFSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.PsiHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.PsiHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.PsiHFSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.PsiHFSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.PsiHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.PsiHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.PsiHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.PsiHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.PsiHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.PsiHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.PsiHFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.PsiHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.PsiHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.PsiHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.PsiHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.PsiHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.PsiHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.PsiHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.PsiHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.PsiHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.PsiHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.PsiHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.PsiHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.PsiHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.PsiHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.PsiHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.PsiHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_rks.out: Customized restricted single point KS unittest ***
testaooverlaps (test.data.testSP.PsiSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix'
testatombasis (test.data.testSP.PsiSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.PsiSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.PsiSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.PsiSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.PsiSPTest.testatommasses) ... ok
testatomnos (test.data.testSP.PsiSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.PsiSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.PsiSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.PsiSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.PsiSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.PsiSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.PsiSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.PsiSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.PsiSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.PsiSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.PsiSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented'
testmetadata_input_file (test.data.testSP.PsiSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.PsiSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.PsiSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.PsiSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.PsiSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.PsiSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.PsiSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.PsiSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.PsiSPTest.testmoments) ... ok
testnatom (test.data.testSP.PsiSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.PsiSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.PsiSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.PsiSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.PsiSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.PsiSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.PsiSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.PsiSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.PsiSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=4)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_sp.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'QChem cannot print the overlap matrix'
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... ok
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_sp.out: Generic restricted single point unittest ***
testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'QChem cannot print the overlap matrix'
testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok
testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok
testatomcoords (test.data.testSP.GenericSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet'
testatomnos (test.data.testSP.GenericSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok
testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok
testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok
testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.GenericSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok
testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok
testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok
testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... ok
testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok
testnatom (test.data.testSP.GenericSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.GenericSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.GenericSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole5.9/dvb_sp_symm/mos,dvb_sp_symm/basis,dvb_sp_symm/control,dvb_sp_symm/dscf.out,dvb_sp_symm/coord: Customized restricted single point KS unittest ***
testaooverlaps (test.data.testSP.TurbomoleSPTest.testaooverlaps) ... skipped 'The parser is still being developed so we skip this test'
testatombasis (test.data.testSP.TurbomoleSPTest.testatombasis) ... skipped 'The parser is still being developed so we skip this test'
testatomcharges (test.data.testSP.TurbomoleSPTest.testatomcharges) ... skipped 'The parser is still being developed so we skip this test'
testatomcoords (test.data.testSP.TurbomoleSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.TurbomoleSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.TurbomoleSPTest.testatommasses) ... skipped 'The parser is still being developed so we skip this test'
testatomnos (test.data.testSP.TurbomoleSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.TurbomoleSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.TurbomoleSPTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test'
testdimmocoeffs (test.data.testSP.TurbomoleSPTest.testdimmocoeffs) ... skipped 'Use of symmetry has reduced the number of mo coeffs'
testdimnoccnos (test.data.testSP.TurbomoleSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.TurbomoleSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.TurbomoleSPTest.testfirstmoenergy) ... skipped 'delta of 7.4, everything else ok'
testfornoormo (test.data.testSP.TurbomoleSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.TurbomoleSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.TurbomoleSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.TurbomoleSPTest.testmetadata_basis_set)
Does metadata have expected keys and values? ... ok
testmetadata_input_file (test.data.testSP.TurbomoleSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.TurbomoleSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.TurbomoleSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.TurbomoleSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.TurbomoleSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.TurbomoleSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_symmetry_used (test.data.testSP.TurbomoleSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_times (test.data.testSP.TurbomoleSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.TurbomoleSPTest.testmoments) ... ok
testnatom (test.data.testSP.TurbomoleSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.TurbomoleSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.TurbomoleSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.TurbomoleSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.TurbomoleSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.TurbomoleSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.TurbomoleSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.TurbomoleSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.TurbomoleSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=11)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.5/dvb_sp/basis,dvb_sp/control,dvb_sp/mos,dvb_sp/dscf.out,dvb_sp/coord: Customized restricted single point HF unittest ***
testaooverlaps (test.data.testSP.TurbomoleHFSPTest.testaooverlaps) ... skipped 'The parser is still being developed so we skip this test'
testatombasis (test.data.testSP.TurbomoleHFSPTest.testatombasis) ... skipped 'The parser is still being developed so we skip this test'
testatomcharges (test.data.testSP.TurbomoleHFSPTest.testatomcharges) ... skipped 'The parser is still being developed so we skip this test'
testatomcoords (test.data.testSP.TurbomoleHFSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomcoords_units (test.data.testSP.TurbomoleHFSPTest.testatomcoords_units)
Are atomcoords consistent with Angstroms? ... ok
testatommasses (test.data.testSP.TurbomoleHFSPTest.testatommasses) ... skipped 'The parser is still being developed so we skip this test'
testatomnos (test.data.testSP.TurbomoleHFSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSP.TurbomoleHFSPTest.testcharge_and_mult) ... ok
testcoreelectrons (test.data.testSP.TurbomoleHFSPTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test'
testdimmocoeffs (test.data.testSP.TurbomoleHFSPTest.testdimmocoeffs) ... skipped 'Use of symmetry has reduced the number of mo coeffs'
testdimnoccnos (test.data.testSP.TurbomoleHFSPTest.testdimnoccnos)
Is the length of nooccnos equal to nmo? ... ok
testdimnocoeffs (test.data.testSP.TurbomoleHFSPTest.testdimnocoeffs)
Are the dimensions of nocoeffs equal to nmo x nmo? ... ok
testfirstmoenergy (test.data.testSP.TurbomoleHFSPTest.testfirstmoenergy)
Is the lowest energy molecular orbital within the target? ... ok
testfornoormo (test.data.testSP.TurbomoleHFSPTest.testfornoormo) ... ok
testhomos (test.data.testSP.TurbomoleHFSPTest.testhomos)
Is the index of the HOMO equal to 34? ... ok
testlengthmoenergies (test.data.testSP.TurbomoleHFSPTest.testlengthmoenergies)
Is the number of evalues equal to nmo? ... ok
testmetadata_basis_set (test.data.testSP.TurbomoleHFSPTest.testmetadata_basis_set)
Does metadata have expected keys and values? ... ok
testmetadata_input_file (test.data.testSP.TurbomoleHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented'
testmetadata_legacy_package_version (test.data.testSP.TurbomoleHFSPTest.testmetadata_legacy_package_version) ... ok
testmetadata_methods (test.data.testSP.TurbomoleHFSPTest.testmetadata_methods)
Does metadata have expected keys and values? ... ok
testmetadata_package (test.data.testSP.TurbomoleHFSPTest.testmetadata_package)
Does metadata have expected keys and values? ... ok
testmetadata_package_version (test.data.testSP.TurbomoleHFSPTest.testmetadata_package_version) ... ok
testmetadata_symmetry_detected (test.data.testSP.TurbomoleHFSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_symmetry_used (test.data.testSP.TurbomoleHFSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented'
testmetadata_times (test.data.testSP.TurbomoleHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser'
testmoments (test.data.testSP.TurbomoleHFSPTest.testmoments) ... ok
testnatom (test.data.testSP.TurbomoleHFSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnbasis (test.data.testSP.TurbomoleHFSPTest.testnbasis)
Is the number of basis set functions correct? ... ok
testoptdone (test.data.testSP.TurbomoleHFSPTest.testoptdone)
There should be no optdone attribute set. ... ok
testscfenergy (test.data.testSP.TurbomoleHFSPTest.testscfenergy) ... ok
testscftargetdim (test.data.testSP.TurbomoleHFSPTest.testscftargetdim) ... ok
testscftargets (test.data.testSP.TurbomoleHFSPTest.testscftargets) ... ok
testscfvaluetype (test.data.testSP.TurbomoleHFSPTest.testscfvaluetype) ... ok
testsymlabels (test.data.testSP.TurbomoleHFSPTest.testsymlabels) ... ok
testtypemoenergies (test.data.testSP.TurbomoleHFSPTest.testtypemoenergies)
Is moenergies a list containing one numpy array? ... ok
----------------------------------------------------------------------
Ran 35 tests in 0.005s
OK (skipped=10)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2018/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.1/dvb_dispersion_bp86_d3zero.out: Customized single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.FireflyDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.8/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest ***
testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies)
Is the dispersion energy parsed correctly? ... ok
----------------------------------------------------------------------
Ran 1 test in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2007.01/dvb_un_sp.adfout: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2013.01/dvb_un_sp.adfout: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_sp_un_hf.out: Customized restricted open-shell single point unittest ***
testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericROSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok
testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok
testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericROSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_sp_un_ks.out: Customized restricted open-shell single point unittest ***
testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericROSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok
testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok
testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericROSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_sp_un_hf.out: Customized restricted open-shell single point unittest ***
testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericROSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok
testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok
testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericROSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_sp_un_ks.out: Customized restricted open-shell single point unittest ***
testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericROSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet'
testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet'
testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok
testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok
testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericROSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.2/dvb_sp_un_modified.FChk: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'Fchk files do not have a section for symmetry'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/dvb_un_sp_b.out: Customized unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GamessUK70SPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GamessUK70SPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GamessUK70SPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GamessUK70SPunTest.testdimmocoeffs)
Are the dimensions of mocoeffs equal to 2 x (homos+6) x nbasis? ... ok
testdimnsoccnos (test.data.testSPun.GamessUK70SPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GamessUK70SPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GamessUK70SPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GamessUK70SPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GamessUK70SPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GamessUK70SPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GamessUK70SPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnooccnos (test.data.testSPun.GamessUK70SPunTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
----------------------------------------------------------------------
Ran 12 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_un_sp_hf.out: Customized unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GamessUK80SPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GamessUK80SPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GamessUK80SPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GamessUK80SPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GamessUK80SPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GamessUK80SPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GamessUK80SPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GamessUK80SPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GamessUK80SPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnooccnos (test.data.testSPun.GamessUK80SPunTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
----------------------------------------------------------------------
Ran 12 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_un_sp_ks.out: Customized unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GamessUK80SPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GamessUK80SPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GamessUK80SPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GamessUK80SPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GamessUK80SPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GamessUK80SPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GamessUK80SPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GamessUK80SPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GamessUK80SPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
testnooccnos (test.data.testSPun.GamessUK80SPunTest.testnooccnos)
Are natural orbital occupation numbers the right size? ... ok
----------------------------------------------------------------------
Ran 12 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_un_sp.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_un_sp.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_un_sp.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_un_sp_b.log: Customized unrestricted single point unittest ***
testatomcharges (test.data.testSPun.GaussianSPunTest.testatomcharges)
Are atomcharges (at least Mulliken) consistent with natom and sum to one? ... ok
testatomcoords (test.data.testSPun.GaussianSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GaussianSPunTest.testatomnos)
Does atomnos have the right dimension (20)? ... ok
testatomspins (test.data.testSPun.GaussianSPunTest.testatomspins) ... ok
testcharge_and_mult (test.data.testSPun.GaussianSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GaussianSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GaussianSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GaussianSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GaussianSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GaussianSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GaussianSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GaussianSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GaussianSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 13 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_un_sp_b.log: Customized unrestricted single point unittest ***
testatomcharges (test.data.testSPun.GaussianSPunTest.testatomcharges)
Are atomcharges (at least Mulliken) consistent with natom and sum to one? ... ok
testatomcoords (test.data.testSPun.GaussianSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GaussianSPunTest.testatomnos)
Does atomnos have the right dimension (20)? ... ok
testatomspins (test.data.testSPun.GaussianSPunTest.testatomspins) ... ok
testcharge_and_mult (test.data.testSPun.GaussianSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GaussianSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GaussianSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GaussianSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GaussianSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GaussianSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GaussianSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GaussianSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GaussianSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 13 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_un_sp_nso.log: Customized unrestricted single point unittest ***
testatomcharges (test.data.testSPun.GaussianSPunTest.testatomcharges)
Are atomcharges (at least Mulliken) consistent with natom and sum to one? ... ok
testatomcoords (test.data.testSPun.GaussianSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GaussianSPunTest.testatomnos)
Does atomnos have the right dimension (20)? ... ok
testatomspins (test.data.testSPun.GaussianSPunTest.testatomspins) ... ok
testcharge_and_mult (test.data.testSPun.GaussianSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GaussianSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GaussianSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GaussianSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GaussianSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GaussianSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GaussianSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GaussianSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GaussianSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 13 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar7.0/dvb_un_sp.out: Customized unrestricted single point unittest ***
testatomcoords (test.data.testSPun.JaguarSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.JaguarSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.JaguarSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.JaguarSPunTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information'
testdimnsoccnos (test.data.testSPun.JaguarSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.JaguarSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.JaguarSPunTest.testfornsoormo) ... skipped 'Data file does not contain enough information'
testhomos (test.data.testSPun.JaguarSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.JaguarSPunTest.testmoenergies)
Are the dims of the moenergies equal to 2 x homos+11? ... ok
testmosyms (test.data.testSPun.JaguarSPunTest.testmosyms)
Are the dims of the mosyms equals to 2 x nmo? ... ok
testnatom (test.data.testSPun.JaguarSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_un_sp_hf.out: Customized unrestricted single point unittest ***
testatomcoords (test.data.testSPun.JaguarSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.JaguarSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.JaguarSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.JaguarSPunTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information'
testdimnsoccnos (test.data.testSPun.JaguarSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.JaguarSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.JaguarSPunTest.testfornsoormo) ... skipped 'Data file does not contain enough information'
testhomos (test.data.testSPun.JaguarSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.JaguarSPunTest.testmoenergies)
Are the dims of the moenergies equal to 2 x homos+11? ... ok
testmosyms (test.data.testSPun.JaguarSPunTest.testmosyms)
Are the dims of the mosyms equals to 2 x nmo? ... ok
testnatom (test.data.testSPun.JaguarSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.002s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_un_sp_ks.out: Customized unrestricted single point unittest ***
testatomcoords (test.data.testSPun.JaguarSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.JaguarSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.JaguarSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.JaguarSPunTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information'
testdimnsoccnos (test.data.testSPun.JaguarSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.JaguarSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.JaguarSPunTest.testfornsoormo) ... skipped 'Data file does not contain enough information'
testhomos (test.data.testSPun.JaguarSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.JaguarSPunTest.testmoenergies)
Are the dims of the moenergies equal to 2 x homos+11? ... ok
testmosyms (test.data.testSPun.JaguarSPunTest.testmosyms)
Are the dims of the mosyms equals to 2 x nmo? ... ok
testnatom (test.data.testSPun.JaguarSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/dvb_sp_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... skipped 'The parser is still being developed so we skip this test'
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'The parser is still being developed so we skip this test'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/dvb_sphf_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped '?'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/dvb_sphf_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped '?'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.0/dvb_un_sp_ks.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem6.5/dvb_un_sp_ks.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_sp_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'ORCA has no support for symmetry yet'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_sp_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'ORCA has no support for symmetry yet'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_sp_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'ORCA has no support for symmetry yet'
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_rohf.out: Customized restricted open-shell single point unittest ***
testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericROSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok
testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok
testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericROSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_uhf.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_sp_uks.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_rohf.out: Customized restricted open-shell single point unittest ***
testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericROSPTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok
testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok
testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericROSPTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_uhf.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_sp_uks.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_sp_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_sp_un.out: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole5.9/dvb_un_sp/alpha,dvb_un_sp/beta,dvb_un_sp/basis,dvb_un_sp/control,dvb_un_sp/dscf.out,dvb_un_sp/coord,dvb_un_sp/gradient: Generic unrestricted single point unittest ***
testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords)
Are the dimensions of atomcoords 1 x natom x 3? ... ok
testatomnos (test.data.testSPun.GenericSPunTest.testatomnos)
Are the atomnos correct? ... ok
testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok
testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok
testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos)
Are the dimensions of nsooccnos equal to 2 x nmo? ... ok
testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs)
Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok
testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok
testhomos (test.data.testSPun.GenericSPunTest.testhomos)
Are the homos correct? ... ok
testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies)
Are the dims of the moenergies equals to 2 x nmo? ... ok
testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok
testnatom (test.data.testSPun.GenericSPunTest.testnatom)
Is the number of atoms equal to 20? ... ok
----------------------------------------------------------------------
Ran 11 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2007.01/dvb_td.adfout: Customized time-dependent DFT unittest ***
testenergies (test.data.testTD.ADFTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.ADFTDDFTTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.ADFTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.ADFTDDFTTest.testsecs)
Is the sum of etsecs close to 1? ... ok
testsecs_transition (test.data.testTD.ADFTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.ADFTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2013.01/dvb_td.adfout: Customized time-dependent DFT unittest ***
testenergies (test.data.testTD.ADFTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.ADFTDDFTTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.ADFTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.ADFTDDFTTest.testsecs)
Is the sum of etsecs close to 1? ... ok
testsecs_transition (test.data.testTD.ADFTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.ADFTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.DALTONTDTest.testenergies) ... ok
testoscs (test.data.testTD.DALTONTDTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.DALTONTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.DALTONTDTest.testsecs) ... ok
testsecs_transition (test.data.testTD.DALTONTDTest.testsecs_transition) ... skipped 'This is true for calculations without symmetry, but not with?'
testsymsnumber (test.data.testTD.DALTONTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.DALTONTDTest.testenergies) ... ok
testoscs (test.data.testTD.DALTONTDTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.DALTONTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.DALTONTDTest.testsecs) ... ok
testsecs_transition (test.data.testTD.DALTONTDTest.testsecs_transition) ... skipped 'This is true for calculations without symmetry, but not with?'
testsymsnumber (test.data.testTD.DALTONTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_td.fchk: Generic time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GenericTDTest.testenergies) ... ok
testoscs (test.data.testTD.GenericTDTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GenericTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GenericTDTest.testsecs) ... skipped 'The parser is still being developed so we skip this test'
testsecs_transition (test.data.testTD.GenericTDTest.testsecs_transition) ... skipped 'This is true for calculations without symmetry, but not with?'
testsymsnumber (test.data.testTD.GenericTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_td.out: Generic time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GenericTDTest.testenergies) ... ok
testoscs (test.data.testTD.GenericTDTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GenericTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GenericTDTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GenericTDTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GenericTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_td_trplet.out: Generic time-dependent HF/DFT (triplet) unittest ***
testenergies (test.data.testTD.GenericTDDFTtrpTest.testenergies) ... ok
testoscs (test.data.testTD.GenericTDDFTtrpTest.testoscs)
Triplet excitations should be disallowed. ... ok
testrotatsnumber (test.data.testTD.GenericTDDFTtrpTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GenericTDDFTtrpTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GenericTDDFTtrpTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GenericTDDFTtrpTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GAMESSUSTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.GAMESSUSTDDFTTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GAMESSUSTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GAMESSUSTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GAMESSUSTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GAMESSUSTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GAMESSUSTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.GAMESSUSTDDFTTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GAMESSUSTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GAMESSUSTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GAMESSUSTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GAMESSUSTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_td_trplet.out: Generic time-dependent HF/DFT (triplet) unittest ***
testenergies (test.data.testTD.GenericTDDFTtrpTest.testenergies) ... ok
testoscs (test.data.testTD.GenericTDDFTtrpTest.testoscs)
Triplet excitations should be disallowed. ... ok
testrotatsnumber (test.data.testTD.GenericTDDFTtrpTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GenericTDDFTtrpTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GenericTDDFTtrpTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GenericTDDFTtrpTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_td_trplet.out: Generic time-dependent HF/DFT (triplet) unittest ***
testenergies (test.data.testTD.GenericTDDFTtrpTest.testenergies) ... ok
testoscs (test.data.testTD.GenericTDDFTtrpTest.testoscs)
Triplet excitations should be disallowed. ... ok
testrotatsnumber (test.data.testTD.GenericTDDFTtrpTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GenericTDDFTtrpTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GenericTDDFTtrpTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GenericTDDFTtrpTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GaussianTDDFTTest.testenergies) ... ok
testetdipsshape (test.data.testTD.GaussianTDDFTTest.testetdipsshape)
Is the shape of etdips correct? ... ok
testetmagdipsshape (test.data.testTD.GaussianTDDFTTest.testetmagdipsshape)
Is the shape of etmagdips correct? ... ok
testetveldipsshape (test.data.testTD.GaussianTDDFTTest.testetveldipsshape)
Is the shape of etveldips correct? ... ok
testoscs (test.data.testTD.GaussianTDDFTTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GaussianTDDFTTest.testrotatsnumber)
Is the length of etrotats correct? ... ok
testsecs (test.data.testTD.GaussianTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GaussianTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GaussianTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 9 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GaussianTDDFTTest.testenergies) ... ok
testetdipsshape (test.data.testTD.GaussianTDDFTTest.testetdipsshape)
Is the shape of etdips correct? ... ok
testetmagdipsshape (test.data.testTD.GaussianTDDFTTest.testetmagdipsshape)
Is the shape of etmagdips correct? ... ok
testetveldipsshape (test.data.testTD.GaussianTDDFTTest.testetveldipsshape)
Is the shape of etveldips correct? ... ok
testoscs (test.data.testTD.GaussianTDDFTTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GaussianTDDFTTest.testrotatsnumber)
Is the length of etrotats correct? ... ok
testsecs (test.data.testTD.GaussianTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GaussianTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GaussianTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 9 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.JaguarTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.JaguarTDDFTTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.JaguarTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.JaguarTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.JaguarTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.JaguarTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem7.0/dvb_td.out: Generic time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.GenericTDTest.testenergies) ... ok
testoscs (test.data.testTD.GenericTDTest.testoscs) ... ok
testrotatsnumber (test.data.testTD.GenericTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented'
testsecs (test.data.testTD.GenericTDTest.testsecs) ... ok
testsecs_transition (test.data.testTD.GenericTDTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.GenericTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.OrcaTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.OrcaTDDFTTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.OrcaTDDFTTest.testrotatsnumber) ... ok
testsecs (test.data.testTD.OrcaTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.OrcaTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.OrcaTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.OrcaTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.OrcaTDDFTTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.OrcaTDDFTTest.testrotatsnumber) ... ok
testsecs (test.data.testTD.OrcaTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.OrcaTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.OrcaTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.OrcaTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.OrcaTDDFTTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.OrcaTDDFTTest.testrotatsnumber) ... ok
testsecs (test.data.testTD.OrcaTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.OrcaTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.OrcaTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_rocis.out: Customized test for ROCIS ***
testTransprop (test.data.testTD.OrcaROCISTest.testTransprop)
Check the number of spectra parsed ... ok
testenergies (test.data.testTD.OrcaROCISTest.testenergies) ... ok
testoscs (test.data.testTD.OrcaROCISTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.OrcaROCISTest.testrotatsnumber)
ROCIS does not calculate rotatory strengths ... ok
testsecs (test.data.testTD.OrcaROCISTest.testsecs)
ROCIS does not form singly excited configurations (secs) ... ok
testsecs_transition (test.data.testTD.OrcaROCISTest.testsecs_transition)
ROCIS does not form singly excited configurations (secs) ... ok
testsymsnumber (test.data.testTD.OrcaROCISTest.testsymsnumber)
ORCA ROCIS has no symmetry ... ok
----------------------------------------------------------------------
Ran 7 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_rocis.out: Customized test for ROCIS ***
testTransprop (test.data.testTD.OrcaROCISTest.testTransprop)
Check the number of spectra parsed ... ok
testenergies (test.data.testTD.OrcaROCISTest.testenergies) ... ok
testoscs (test.data.testTD.OrcaROCISTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.OrcaROCISTest.testrotatsnumber)
ROCIS does not calculate rotatory strengths ... ok
testsecs (test.data.testTD.OrcaROCISTest.testsecs)
ROCIS does not form singly excited configurations (secs) ... ok
testsecs_transition (test.data.testTD.OrcaROCISTest.testsecs_transition)
ROCIS does not form singly excited configurations (secs) ... ok
testsymsnumber (test.data.testTD.OrcaROCISTest.testsymsnumber)
ORCA ROCIS has no symmetry ... ok
----------------------------------------------------------------------
Ran 7 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_rocis.out: Customized test for ROCIS ***
testTransprop (test.data.testTD.OrcaROCISTest.testTransprop)
Check the number of spectra parsed ... ok
testenergies (test.data.testTD.OrcaROCISTest.testenergies) ... ok
testoscs (test.data.testTD.OrcaROCISTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.OrcaROCISTest.testrotatsnumber)
ROCIS does not calculate rotatory strengths ... ok
testsecs (test.data.testTD.OrcaROCISTest.testsecs)
ROCIS does not form singly excited configurations (secs) ... ok
testsecs_transition (test.data.testTD.OrcaROCISTest.testsecs_transition)
ROCIS does not form singly excited configurations (secs) ... ok
testsymsnumber (test.data.testTD.OrcaROCISTest.testsymsnumber)
ORCA ROCIS has no symmetry ... ok
----------------------------------------------------------------------
Ran 7 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.QChemTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.QChemTDDFTTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.QChemTDDFTTest.testrotatsnumber) ... skipped 'Q-Chem cannot calculate rotatory strengths'
testsecs (test.data.testTD.QChemTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.QChemTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.QChemTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_td.out: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.QChemTDDFTTest.testenergies) ... ok
testoscs (test.data.testTD.QChemTDDFTTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.QChemTDDFTTest.testrotatsnumber) ... skipped 'Q-Chem cannot calculate rotatory strengths'
testsecs (test.data.testTD.QChemTDDFTTest.testsecs) ... ok
testsecs_transition (test.data.testTD.QChemTDDFTTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.QChemTDDFTTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_TD/basis,CO_TD/control,CO_TD/mos,CO_TD/dscf.out,CO_TD/escf.out,CO_TD/coord: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.TurbomoleTDTest.testenergies) ... ok
testoscs (test.data.testTD.TurbomoleTDTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.TurbomoleTDTest.testrotatsnumber) ... ok
testsecs (test.data.testTD.TurbomoleTDTest.testsecs) ... ok
testsecs_transition (test.data.testTD.TurbomoleTDTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.TurbomoleTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_TD_trip/basis,CO_TD_trip/control,CO_TD_trip/mos,CO_TD_trip/dscf.out,CO_TD_trip/escf.out,CO_TD_trip/coord: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.TurbomoleTDTripTest.testenergies) ... ok
testoscs (test.data.testTD.TurbomoleTDTripTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.TurbomoleTDTripTest.testrotatsnumber) ... ok
testsecs (test.data.testTD.TurbomoleTDTripTest.testsecs) ... ok
testsecs_transition (test.data.testTD.TurbomoleTDTripTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.TurbomoleTDTripTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_cc2_TD/basis,CO_cc2_TD/control,CO_cc2_TD/mos,CO_cc2_TD/dscf.out,CO_cc2_TD/ricc2.out,CO_cc2_TD/coord: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.TurbomoleTDTest.testenergies) ... ok
testoscs (test.data.testTD.TurbomoleTDTest.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.TurbomoleTDTest.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2'
testsecs (test.data.testTD.TurbomoleTDTest.testsecs) ... ok
testsecs_transition (test.data.testTD.TurbomoleTDTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.TurbomoleTDTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_adc2_TD/basis,CO_adc2_TD/control,CO_adc2_TD/mos,CO_adc2_TD/CO.log,CO_adc2_TD/coord: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.TurbomoleTDADC2Test.testenergies) ... ok
testoscs (test.data.testTD.TurbomoleTDADC2Test.testoscs)
Is the maximum of etoscs in the right range? ... ok
testrotatsnumber (test.data.testTD.TurbomoleTDADC2Test.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2'
testsecs (test.data.testTD.TurbomoleTDADC2Test.testsecs) ... ok
testsecs_transition (test.data.testTD.TurbomoleTDADC2Test.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.TurbomoleTDADC2Test.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_cc2_TD_trip/basis,CO_cc2_TD_trip/control,CO_cc2_TD_trip/mos,CO_cc2_TD_trip/dscf.out,CO_cc2_TD_trip/ricc2.out,CO_cc2_TD_trip/coord: Customized time-dependent HF/DFT unittest ***
testenergies (test.data.testTD.TurbomoleTDCC2TripTest.testenergies)
Is the l_max reasonable? ... ok
testoscs (test.data.testTD.TurbomoleTDCC2TripTest.testoscs) ... skipped "Oscillator strengths are not available for triplets with Turbomole's ricc2"
testrotatsnumber (test.data.testTD.TurbomoleTDCC2TripTest.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2'
testsecs (test.data.testTD.TurbomoleTDCC2TripTest.testsecs) ... ok
testsecs_transition (test.data.testTD.TurbomoleTDCC2TripTest.testsecs_transition) ... ok
testsymsnumber (test.data.testTD.TurbomoleTDCC2TripTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/CO_TD_delta.log: Generic time-dependent unrestricted HF/DFT unittest ***
testenergiesnumber (test.data.testTDun.GenericTDunTest.testenergiesnumber) ... ok
testoscsnumber (test.data.testTDun.GenericTDunTest.testoscsnumber) ... ok
testrotatsnumber (test.data.testTDun.GenericTDunTest.testrotatsnumber) ... ok
testsecsnumber (test.data.testTDun.GenericTDunTest.testsecsnumber) ... ok
testsyms (test.data.testTDun.GenericTDunTest.testsyms) ... ok
testsymsnumber (test.data.testTDun.GenericTDunTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/CO_TD_delta.log: Generic time-dependent unrestricted HF/DFT unittest ***
testenergiesnumber (test.data.testTDun.GenericTDunTest.testenergiesnumber) ... ok
testoscsnumber (test.data.testTDun.GenericTDunTest.testoscsnumber) ... ok
testrotatsnumber (test.data.testTDun.GenericTDunTest.testrotatsnumber) ... ok
testsecsnumber (test.data.testTDun.GenericTDunTest.testsecsnumber) ... ok
testsyms (test.data.testTDun.GenericTDunTest.testsyms) ... ok
testsymsnumber (test.data.testTDun.GenericTDunTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_TD_un/basis,CO_TD_un/control,CO_TD_un/alpha,CO_TD_un/beta,CO_TD_un/dscf.out,CO_TD_un/escf.out,CO_TD_un/coord: Customized time-dependent unrestricted HF/DFT unittest ***
testenergiesnumber (test.data.testTDun.TurbomoleTDunTest.testenergiesnumber) ... ok
testoscsnumber (test.data.testTDun.TurbomoleTDunTest.testoscsnumber) ... ok
testrotatsnumber (test.data.testTDun.TurbomoleTDunTest.testrotatsnumber) ... ok
testsecsnumber (test.data.testTDun.TurbomoleTDunTest.testsecsnumber) ... ok
testsyms (test.data.testTDun.TurbomoleTDunTest.testsyms) ... skipped 'Turbomole etsyms are not available for UHF'
testsymsnumber (test.data.testTDun.TurbomoleTDunTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole7.4/CO_cc2_TD_un/basis,CO_cc2_TD_un/control,CO_cc2_TD_un/alpha,CO_cc2_TD_un/beta,CO_cc2_TD_un/dscf.out,CO_cc2_TD_un/ricc2.out,CO_cc2_TD_un/coord: Customized time-dependent unrestricted HF/DFT unittest ***
testenergiesnumber (test.data.testTDun.TurbomoleTDunTest.testenergiesnumber) ... ok
testoscsnumber (test.data.testTDun.TurbomoleTDunTest.testoscsnumber) ... skipped "Oscillator strengths are not available for triplets with Turbomole's ricc2"
testrotatsnumber (test.data.testTDun.TurbomoleTDunTest.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2'
testsecsnumber (test.data.testTDun.TurbomoleTDunTest.testsecsnumber) ... ok
testsyms (test.data.testTDun.TurbomoleTDunTest.testsyms) ... skipped 'Turbomole etsyms are not available for UHF'
testsymsnumber (test.data.testTDun.TurbomoleTDunTest.testsymsnumber) ... ok
----------------------------------------------------------------------
Ran 6 tests in 0.000s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2007.01/dvb_ir.adfout: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.ADFIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.ADFIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.ADFIRTest.testirintens) ... ok
testlengths (test.data.testvib.ADFIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.ADFIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.ADFIRTest.testvibfconsts) ... skipped 'ADF cannot print force constants'
testvibrmasses (test.data.testvib.ADFIRTest.testvibrmasses) ... skipped 'ADF cannot print reduced masses'
testzeropointcorrection (test.data.testvib.ADFIRTest.testzeropointcorrection)
Is the zero-point correction correct? ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicADF2013.01/dvb_ir.adfout: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.ADFIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.ADFIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.ADFIRTest.testirintens) ... ok
testlengths (test.data.testvib.ADFIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.ADFIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.ADFIRTest.testvibfconsts) ... skipped 'ADF cannot print force constants'
testvibrmasses (test.data.testvib.ADFIRTest.testvibrmasses) ... skipped 'ADF cannot print reduced masses'
testzeropointcorrection (test.data.testvib.ADFIRTest.testzeropointcorrection)
Is the zero-point correction correct? ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'DALTON cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'DALTON cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2015/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'DALTON cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'DALTON cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'GAMESS-UK cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'GAMESSUK cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'GAMESS-UK cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'GAMESSUK cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_ir.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.FireflyIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.FireflyIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.FireflyIRTest.testirintens) ... ok
testlengths (test.data.testvib.FireflyIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.FireflyIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.FireflyIRTest.testvibfconsts) ... skipped 'GAMESS-US cannot print force constants'
testvibrmasses (test.data.testvib.FireflyIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.FireflyIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/dvb_ir.out: Customized vibrational frequency unittest ***
testatommasses (test.data.testvib.GamessIRTest.testatommasses)
Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok
testbasics (test.data.testvib.GamessIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.GamessIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.GamessIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.GamessIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.GamessIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.GamessIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GamessIRTest.testirintens) ... ok
testlengths (test.data.testvib.GamessIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.GamessIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.GamessIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.GamessIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GamessIRTest.testvibfconsts) ... skipped 'GAMESS-US cannot print force constants'
testvibrmasses (test.data.testvib.GamessIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.GamessIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 15 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/dvb_ir.out: Customized vibrational frequency unittest ***
testatommasses (test.data.testvib.GamessIRTest.testatommasses)
Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok
testbasics (test.data.testvib.GamessIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.GamessIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.GamessIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.GamessIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.GamessIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.GamessIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GamessIRTest.testirintens) ... ok
testlengths (test.data.testvib.GamessIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.GamessIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.GamessIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.GamessIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GamessIRTest.testvibfconsts) ... skipped 'GAMESS-US cannot print force constants'
testvibrmasses (test.data.testvib.GamessIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.GamessIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 15 tests in 0.002s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_ir.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.GaussianIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.GaussianIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.GaussianIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.GaussianIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.GaussianIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.GaussianIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GaussianIRTest.testirintens) ... ok
testlengths (test.data.testvib.GaussianIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.GaussianIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.GaussianIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.GaussianIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GaussianIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.GaussianIRTest.testvibrmasses) ... ok
testvibsyms (test.data.testvib.GaussianIRTest.testvibsyms)
Is the length of vibsyms correct? ... ok
testzeropointcorrection (test.data.testvib.GaussianIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 15 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_ir.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.GaussianIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.GaussianIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.GaussianIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.GaussianIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.GaussianIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.GaussianIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GaussianIRTest.testirintens) ... ok
testlengths (test.data.testvib.GaussianIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.GaussianIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.GaussianIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.GaussianIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GaussianIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.GaussianIRTest.testvibrmasses) ... ok
testvibsyms (test.data.testvib.GaussianIRTest.testvibsyms)
Is the length of vibsyms correct? ... ok
testzeropointcorrection (test.data.testvib.GaussianIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 15 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_ir_G16C01.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.GaussianIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.GaussianIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.GaussianIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.GaussianIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.GaussianIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.GaussianIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GaussianIRTest.testirintens) ... ok
testlengths (test.data.testvib.GaussianIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.GaussianIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.GaussianIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.GaussianIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GaussianIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.GaussianIRTest.testvibrmasses) ... ok
testvibsyms (test.data.testvib.GaussianIRTest.testvibsyms)
Is the length of vibsyms correct? ... ok
testzeropointcorrection (test.data.testvib.GaussianIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 15 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar7.0/dvb_ir.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.JaguarIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.JaguarIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.JaguarIRTest.testirintens) ... ok
testlengths (test.data.testvib.JaguarIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.JaguarIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.JaguarIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.JaguarIRTest.testvibrmasses) ... ok
testvibsyms (test.data.testvib.JaguarIRTest.testvibsyms)
Is the length of vibsyms correct? ... ok
testzeropointcorrection (test.data.testvib.JaguarIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 9 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicJaguar8.3/dvb_ir.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.JaguarIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.JaguarIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.JaguarIRTest.testirintens) ... ok
testlengths (test.data.testvib.JaguarIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.JaguarIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.JaguarIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.JaguarIRTest.testvibrmasses) ... ok
testvibsyms (test.data.testvib.JaguarIRTest.testvibsyms)
Is the length of vibsyms correct? ... ok
testzeropointcorrection (test.data.testvib.JaguarIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 9 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicOpenMolcas18.0/dvb_ir.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.MolcasIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.MolcasIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.MolcasIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.MolcasIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.MolcasIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.MolcasIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.MolcasIRTest.testirintens) ... ok
testlengths (test.data.testvib.MolcasIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.MolcasIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.MolcasIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.MolcasIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.MolcasIRTest.testvibfconsts) ... skipped 'Molcas cannot print force constants'
testvibrmasses (test.data.testvib.MolcasIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.MolcasIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 14 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2006/dvb_ir.out,dvb_ir.log: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'Molpro cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'Molpro cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicMolpro2012/dvb_ir.out,dvb_ir.log: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'Molpro cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'Molpro cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicNWChem7.0/dvb_ir.out: Generic imaginary vibrational frequency unittest ***
testbasics (test.data.testvib.NWChemIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.NWChemIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.NWChemIRTest.testirintens) ... ok
testlengths (test.data.testvib.NWChemIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.NWChemIRTest.testvibdisps) ... skipped 'Not implemented for this parser'
testvibfconsts (test.data.testvib.NWChemIRTest.testvibfconsts) ... skipped 'Not implemented for this parser'
testvibrmasses (test.data.testvib.NWChemIRTest.testvibrmasses) ... skipped 'Not implemented for this parser'
testzeropointcorrection (test.data.testvib.NWChemIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=3)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'ORCA cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'ORCA cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'ORCA cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'ORCA cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_ir.out: Generic vibrational frequency unittest ***
testbasics (test.data.testvib.GenericIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.GenericIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok
testlengths (test.data.testvib.GenericIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'ORCA cannot print force constants'
testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'ORCA cannot print reduced masses'
testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=2)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.2.1/dvb_ir_rhf.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.Psi4IRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.Psi4IRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.Psi4IRTest.testirintens) ... skipped 'Psi cannot print IR intensities'
testlengths (test.data.testvib.Psi4IRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.Psi4IRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.Psi4IRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.Psi4IRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.Psi4IRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicPsi4-1.3.1/dvb_ir_rhf.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.Psi4IRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.Psi4IRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.Psi4IRTest.testirintens) ... skipped 'Psi cannot print IR intensities'
testlengths (test.data.testvib.Psi4IRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.Psi4IRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.Psi4IRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.Psi4IRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.Psi4IRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_ir.out: Customized vibrational frequency unittest ***
testatommasses (test.data.testvib.QChemIRTest.testatommasses)
Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok
testbasics (test.data.testvib.QChemIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.QChemIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.QChemIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.QChemIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.QChemIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.QChemIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testhessian (test.data.testvib.QChemIRTest.testhessian)
Do the frequencies from the Hessian match the printed frequencies? ... ok
testirintens (test.data.testvib.QChemIRTest.testirintens) ... ok
testlengths (test.data.testvib.QChemIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.QChemIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.QChemIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.QChemIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.QChemIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.QChemIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.QChemIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 16 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_ir.out: Customized vibrational frequency unittest ***
testatommasses (test.data.testvib.QChemIRTest.testatommasses)
Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok
testbasics (test.data.testvib.QChemIRTest.testbasics)
Are basic attributes correct? ... ok
testenthalpy (test.data.testvib.QChemIRTest.testenthalpy)
Is the enthalpy reasonable ... ok
testentropy (test.data.testvib.QChemIRTest.testentropy)
Is the entropy reasonable ... ok
testfreeenergy (test.data.testvib.QChemIRTest.testfreeenergy)
Is the freeenergy reasonable ... ok
testfreeenergyconsistency (test.data.testvib.QChemIRTest.testfreeenergyconsistency)
Does G = H - TS hold ... ok
testfreqval (test.data.testvib.QChemIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testhessian (test.data.testvib.QChemIRTest.testhessian)
Do the frequencies from the Hessian match the printed frequencies? ... ok
testirintens (test.data.testvib.QChemIRTest.testirintens) ... ok
testlengths (test.data.testvib.QChemIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testpressure (test.data.testvib.QChemIRTest.testpressure)
Is the pressure 1 atm? ... ok
testtemperature (test.data.testvib.QChemIRTest.testtemperature)
Is the temperature 298.15 K? ... ok
testvibdisps (test.data.testvib.QChemIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.QChemIRTest.testvibfconsts) ... ok
testvibrmasses (test.data.testvib.QChemIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.QChemIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 16 tests in 0.002s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicTurbomole5.9/dvb_ir/basis,dvb_ir/control,dvb_ir/mos,dvb_ir/aoforce.out: Customized vibrational frequency unittest ***
testbasics (test.data.testvib.TurbomoleIRTest.testbasics)
Are basic attributes correct? ... ok
testfreqval (test.data.testvib.TurbomoleIRTest.testfreqval)
Is the highest freq value 3630 +/- 200 wavenumber? ... ok
testirintens (test.data.testvib.TurbomoleIRTest.testirintens) ... ok
testlengths (test.data.testvib.TurbomoleIRTest.testlengths)
Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok
testvibdisps (test.data.testvib.TurbomoleIRTest.testvibdisps) ... ok
testvibfconsts (test.data.testvib.TurbomoleIRTest.testvibfconsts) ... skipped 'Turbomole cannot print force constants'
testvibrmasses (test.data.testvib.TurbomoleIRTest.testvibrmasses) ... ok
testzeropointcorrection (test.data.testvib.TurbomoleIRTest.testzeropointcorrection) ... ok
----------------------------------------------------------------------
Ran 8 tests in 0.001s
OK (skipped=1)
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2017/nh3_ts_ir.out: Generic imaginary vibrational frequency unittest ***
testfreqval (test.data.testvib.GenericIRimgTest.testfreqval)
Is the lowest freq value negative? ... ok
testlengths (test.data.testvib.GenericIRimgTest.testlengths)
Are the lengths of vibfreqs and vibirs correct? ... ok
testvibdisps (test.data.testvib.GenericIRimgTest.testvibdisps)
Are the dimensions of vibdisps consistent with numvib x N x 3 ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-US2018/nh3_ts_ir.out: Generic imaginary vibrational frequency unittest ***
testfreqval (test.data.testvib.GenericIRimgTest.testfreqval)
Is the lowest freq value negative? ... ok
testlengths (test.data.testvib.GenericIRimgTest.testlengths)
Are the lengths of vibfreqs and vibirs correct? ... ok
testvibdisps (test.data.testvib.GenericIRimgTest.testvibdisps)
Are the dimensions of vibdisps consistent with numvib x N x 3 ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicDALTON-2013/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.DALTONRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.DALTONRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.DALTONRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK7.0/dvb_raman.out: Generic Raman unittest ***
testlengths (test.data.testvib.GenericRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.GenericRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.GenericRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGAMESS-UK8.0/dvb_raman.out: Generic Raman unittest ***
testlengths (test.data.testvib.GenericRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.GenericRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.GenericRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicFirefly8.0/dvb_raman.out: Generic Raman unittest ***
testlengths (test.data.testvib.GenericRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.GenericRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.GenericRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian09/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.GaussianRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.GaussianRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.GaussianRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicGaussian16/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.GaussianRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.GaussianRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.GaussianRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.1/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.OrcaRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.OrcaRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.OrcaRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA4.2/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.OrcaRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.OrcaRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.OrcaRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicORCA5.0/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.OrcaRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.OrcaRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.OrcaRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.1/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.QChemRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.QChemRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.QChemRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
/builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead.
myunittest = unittest.makeSuite(test)
*** basicQChem5.4/dvb_raman.out: Customized Raman unittest ***
testlengths (test.data.testvib.QChemRamanTest.testlengths)
Is the length of vibramans correct? ... ok
testramanintens (test.data.testvib.QChemRamanTest.testramanintens)
Is the maximum Raman intensity correct? ... ok
testvibdisps (test.data.testvib.QChemRamanTest.testvibdisps)
Is the length and value of vibdisps correct? ... ok
----------------------------------------------------------------------
Ran 3 tests in 0.000s
OK
********* SUMMARY PER PACKAGE ****************
Total Passed Failed Errors Skipped
ADF 168 150 0 0 18
DALTON 347 295 0 0 52
FChk 54 35 0 0 19
GAMESS 360 330 0 0 30
GAMESSUK 256 234 0 0 22
Gaussian 376 365 0 0 11
Jaguar 264 227 0 0 37
MOPAC 21 10 0 0 11
Molcas 99 77 0 0 22
Molpro 201 176 0 0 25
NWChem 311 283 0 0 28
ORCA 348 318 0 0 30
Psi4 356 334 0 0 22
QChem 260 246 0 0 14
Turbomole 189 157 0 0 32
********* SUMMARY OF EVERYTHING **************
TOTAL: 3610 PASSED: 3237 FAILED: 0 ERRORS: 0 SKIPPED: 373
*** Visual tests ***
MO energies of optimised dvb
ADF2013.01 DALTON2015 Firefly8.0 GAMESS-US2018Gaussian16 Jaguar8.0 Molpro2012 NWChem6.5 ORCA4.2 Psi4-1.3.1 QChem5.4
HOMO -3.3278 -4.0660 -6.3457 -4.0681 -4.1655 -4.1658 -4.0735 -4.1655 -4.0639 -4.1654 -4.1633
LUMO +0.1490 +1.1163 +5.6328 +1.1157 +1.0183 +1.0193 +1.1619 +1.0179 +1.1178 +1.0178 +1.0068
H-L 3.4768 5.1823 11.9785 5.1838 5.1838 5.1851 5.2355 5.1834 5.1817 5.1833 5.1702
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: python3-cclib-1.7.1-3.20220618git8e6892a5.fc38.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.nsXCHp
+ umask 022
+ cd /builddir/build/BUILD
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ DOCDIR=/builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib
+ export LC_ALL=C
+ LC_ALL=C
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib
+ cp -pr CHANGELOG /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib
+ cp -pr ANNOUNCE /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib
+ cp -pr THANKS /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.CedUoC
+ umask 022
+ cd /builddir/build/BUILD
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ LICENSEDIR=/builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/licenses/python3-cclib
+ export LC_ALL=C
+ LC_ALL=C
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/licenses/python3-cclib
+ cp -pr LICENSE /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64/usr/share/licenses/python3-cclib
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: python-cclib = 1.7.1-3.20220618git8e6892a5.fc38 python3-cclib = 1.7.1-3.20220618git8e6892a5.fc38 python3.11-cclib = 1.7.1-3.20220618git8e6892a5.fc38 python3.11dist(cclib) = 1.7.1 python3dist(cclib) = 1.7.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/python3 python(abi) = 3.11 python3.11dist(numpy) python3.11dist(packaging) >= 19 python3.11dist(periodictable) python3.11dist(scipy) >= 1.2
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64
Wrote: /builddir/build/RPMS/python3-cclib-1.7.1-3.20220618git8e6892a5.fc38.noarch.rpm
Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.GFXUlw
+ umask 022
+ cd /builddir/build/BUILD
+ cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b
+ /usr/bin/rm -rf /builddir/build/BUILDROOT/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.x86_64
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.Je1J7S
+ umask 022
+ cd /builddir/build/BUILD
+ rm -rf cclib-8e6892a562b7916a465a808e2fce43ca7688592b cclib-8e6892a562b7916a465a808e2fce43ca7688592b.gemspec
+ RPM_EC=0
++ jobs -p
+ exit 0
Finish: rpmbuild python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
Finish: build phase for python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan
INFO: /var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log/dnf.rpm.log
/var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log/dnf.librepo.log
/var/lib/mock/fedora-rawhide-x86_64-1674297577.474532/root/var/log/dnf.log
INFO: Done(/var/lib/copr-rpmbuild/results/python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm) Config(child) 0 minutes 34 seconds
INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results
INFO: Cleaning up build root ('cleanup_on_success=True')
Start: clean chroot
INFO: unmounting tmpfs.
Finish: clean chroot
Finish: run
Running RPMResults tool