Mock Version: 2.16 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'], chrootPath='/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '3d8e50473c8f410dad066f88216ddba1', '-D', '/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1648425600 Wrote: /builddir/build/SRPMS/python-psiresp-0.4.1-1.el9.src.rpm Child return code was: 0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'], chrootPath='/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueraiseExc=FalseprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '5ea53c67abc94ec7b342c43f9c5ff60d', '-D', '/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1648425600 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.AidEYX + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf psiresp-0.4.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/psiresp-0.4.1.tar.gz + /usr/bin/tar -xof - + STATUS=0 + '[' 0 -ne 0 ']' + cd psiresp-0.4.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + RPM_EC=0 ++ jobs -p + exit 0 Executing(%generate_buildrequires): /bin/sh -e /var/tmp/rpm-tmp.W3XpUJ + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + echo pyproject-rpm-macros + echo python3-devel + echo 'python3dist(pip) >= 19' + echo 'python3dist(packaging)' + '[' -f pyproject.toml ']' + echo 'python3dist(toml)' + rm -rfv '*.dist-info/' + '[' -f /usr/bin/python3 ']' + RPM_TOXENV=py39 + HOSTNAME=rpmbuild + /usr/bin/python3 -s /usr/lib/rpm/redhat/pyproject_buildrequires.py --generate-extras --python3_pkgversion 3 -r Import error: No module named 'toml' + RPM_EC=0 ++ jobs -p + exit 0 Wrote: /builddir/build/SRPMS/python-psiresp-0.4.1-1.el9.buildreqs.nosrc.rpm Child return code was: 11 Dynamic buildrequires detected Going to install missing buildrequires. See root.log for details. ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'], chrootPath='/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueraiseExc=FalseprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'b0414ee168d343e38b0cacb3ae4c2fec', '-D', '/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1648425600 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.6xSjj3 + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf psiresp-0.4.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/psiresp-0.4.1.tar.gz + /usr/bin/tar -xof - + STATUS=0 + '[' 0 -ne 0 ']' + cd psiresp-0.4.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + RPM_EC=0 ++ jobs -p + exit 0 Executing(%generate_buildrequires): /bin/sh -e /var/tmp/rpm-tmp.F7zP5o + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + echo pyproject-rpm-macros + echo python3-devel + echo 'python3dist(pip) >= 19' + echo 'python3dist(packaging)' + '[' -f pyproject.toml ']' + echo 'python3dist(toml)' + rm -rfv '*.dist-info/' + '[' -f /usr/bin/python3 ']' + RPM_TOXENV=py39 + HOSTNAME=rpmbuild + /usr/bin/python3 -s /usr/lib/rpm/redhat/pyproject_buildrequires.py --generate-extras --python3_pkgversion 3 -r Handling setuptools >= 40.8 from default build backend Requirement satisfied: setuptools >= 40.8 (installed: setuptools 53.0.0) Handling wheel from default build backend Requirement not satisfied: wheel Exiting dependency generation pass: build backend + RPM_EC=0 ++ jobs -p + exit 0 Wrote: /builddir/build/SRPMS/python-psiresp-0.4.1-1.el9.buildreqs.nosrc.rpm Child return code was: 11 Dynamic buildrequires detected Going to install missing buildrequires. See root.log for details. ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'], chrootPath='/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueraiseExc=FalseprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'ef54c280fe344ab1a6142441e61baa17', '-D', '/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1648425600 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.w4VhbS + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf psiresp-0.4.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/psiresp-0.4.1.tar.gz + /usr/bin/tar -xof - + STATUS=0 + '[' 0 -ne 0 ']' + cd psiresp-0.4.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + RPM_EC=0 ++ jobs -p + exit 0 Executing(%generate_buildrequires): /bin/sh -e /var/tmp/rpm-tmp.S8z22N + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + echo pyproject-rpm-macros + echo python3-devel + echo 'python3dist(pip) >= 19' + echo 'python3dist(packaging)' + '[' -f pyproject.toml ']' + echo 'python3dist(toml)' + rm -rfv '*.dist-info/' + '[' -f /usr/bin/python3 ']' + RPM_TOXENV=py39 + HOSTNAME=rpmbuild + /usr/bin/python3 -s /usr/lib/rpm/redhat/pyproject_buildrequires.py --generate-extras --python3_pkgversion 3 -r Handling setuptools >= 40.8 from default build backend Requirement satisfied: setuptools >= 40.8 (installed: setuptools 53.0.0) Handling wheel from default build backend Requirement satisfied: wheel (installed: wheel 0.36.2) /usr/lib/python3.9/site-packages/setuptools/dist.py:466: UserWarning: Normalizing 'v0.4.1' to '0.4.1' warnings.warn(tmpl.format(**locals())) warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution HOOK STDOUT: running egg_info HOOK STDOUT: writing psiresp.egg-info/PKG-INFO HOOK STDOUT: writing dependency_links to psiresp.egg-info/dependency_links.txt HOOK STDOUT: writing requirements to psiresp.egg-info/requires.txt HOOK STDOUT: writing top-level names to psiresp.egg-info/top_level.txt HOOK STDOUT: reading manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest template 'MANIFEST.in' HOOK STDOUT: adding license file 'LICENSE' HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' Handling wheel from get_requires_for_build_wheel Requirement satisfied: wheel (installed: wheel 0.36.2) warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution HOOK STDOUT: running dist_info HOOK STDOUT: writing psiresp.egg-info/PKG-INFO HOOK STDOUT: writing dependency_links to psiresp.egg-info/dependency_links.txt HOOK STDOUT: writing requirements to psiresp.egg-info/requires.txt HOOK STDOUT: writing top-level names to psiresp.egg-info/top_level.txt HOOK STDOUT: reading manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest template 'MANIFEST.in' HOOK STDOUT: adding license file 'LICENSE' HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: creating '/builddir/build/BUILD/psiresp-0.4.1/psiresp.dist-info' HOOK STDOUT: adding license file "LICENSE" (matched pattern "LICEN[CS]E*") Handling msgpack-python from wheel metadata: Requires-Dist Requirement not satisfied: msgpack-python Handling numpy from wheel metadata: Requires-Dist Requirement not satisfied: numpy Handling qcelemental from wheel metadata: Requires-Dist Requirement not satisfied: qcelemental Handling requests from wheel metadata: Requires-Dist Requirement not satisfied: requests Handling scipy (>=1.4) from wheel metadata: Requires-Dist Requirement not satisfied: scipy (>=1.4) Handling tqdm from wheel metadata: Requires-Dist Requirement not satisfied: tqdm Handling typing-extensions from wheel metadata: Requires-Dist Requirement not satisfied: typing-extensions + RPM_EC=0 ++ jobs -p + exit 0 Wrote: /builddir/build/SRPMS/python-psiresp-0.4.1-1.el9.buildreqs.nosrc.rpm Child return code was: 11 Dynamic buildrequires detected Going to install missing buildrequires. See root.log for details. ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'], chrootPath='/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueraiseExc=FalseprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '3d28a33ca9c24787898f7f84777fde51', '-D', '/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -br --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1648425600 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.6rBdBe + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf psiresp-0.4.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/psiresp-0.4.1.tar.gz + /usr/bin/tar -xof - + STATUS=0 + '[' 0 -ne 0 ']' + cd psiresp-0.4.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + RPM_EC=0 ++ jobs -p + exit 0 Executing(%generate_buildrequires): /bin/sh -e /var/tmp/rpm-tmp.41Wy3U + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + echo pyproject-rpm-macros + echo python3-devel + echo 'python3dist(pip) >= 19' + echo 'python3dist(packaging)' + '[' -f pyproject.toml ']' + echo 'python3dist(toml)' + rm -rfv '*.dist-info/' + '[' -f /usr/bin/python3 ']' + RPM_TOXENV=py39 + HOSTNAME=rpmbuild + /usr/bin/python3 -s /usr/lib/rpm/redhat/pyproject_buildrequires.py --generate-extras --python3_pkgversion 3 -r Handling setuptools >= 40.8 from default build backend Requirement satisfied: setuptools >= 40.8 (installed: setuptools 53.0.0) Handling wheel from default build backend Requirement satisfied: wheel (installed: wheel 0.36.2) /usr/lib/python3.9/site-packages/setuptools/dist.py:466: UserWarning: Normalizing 'v0.4.1' to '0.4.1' warnings.warn(tmpl.format(**locals())) warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution HOOK STDOUT: running egg_info HOOK STDOUT: writing psiresp.egg-info/PKG-INFO HOOK STDOUT: writing dependency_links to psiresp.egg-info/dependency_links.txt HOOK STDOUT: writing requirements to psiresp.egg-info/requires.txt HOOK STDOUT: writing top-level names to psiresp.egg-info/top_level.txt HOOK STDOUT: reading manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest template 'MANIFEST.in' HOOK STDOUT: adding license file 'LICENSE' HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' Handling wheel from get_requires_for_build_wheel Requirement satisfied: wheel (installed: wheel 0.36.2) warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution HOOK STDOUT: running dist_info HOOK STDOUT: writing psiresp.egg-info/PKG-INFO HOOK STDOUT: writing dependency_links to psiresp.egg-info/dependency_links.txt HOOK STDOUT: writing requirements to psiresp.egg-info/requires.txt HOOK STDOUT: writing top-level names to psiresp.egg-info/top_level.txt HOOK STDOUT: reading manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest template 'MANIFEST.in' HOOK STDOUT: adding license file 'LICENSE' HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: creating '/builddir/build/BUILD/psiresp-0.4.1/psiresp.dist-info' HOOK STDOUT: adding license file "LICENSE" (matched pattern "LICEN[CS]E*") Handling msgpack-python from wheel metadata: Requires-Dist Requirement not satisfied: msgpack-python Handling numpy from wheel metadata: Requires-Dist Requirement satisfied: numpy (installed: numpy 1.20.1) Handling qcelemental from wheel metadata: Requires-Dist Requirement satisfied: qcelemental (installed: qcelemental 0.24.0) Handling requests from wheel metadata: Requires-Dist Requirement satisfied: requests (installed: requests 2.27.1) Handling scipy (>=1.4) from wheel metadata: Requires-Dist Requirement satisfied: scipy (>=1.4) (installed: scipy 1.6.2) Handling tqdm from wheel metadata: Requires-Dist Requirement satisfied: tqdm (installed: tqdm 4.63.0) Handling typing-extensions from wheel metadata: Requires-Dist Requirement satisfied: typing-extensions (installed: typing-extensions 4.1.1) + RPM_EC=0 ++ jobs -p + exit 0 Wrote: /builddir/build/SRPMS/python-psiresp-0.4.1-1.el9.buildreqs.nosrc.rpm Child return code was: 11 Dynamic buildrequires detected Going to install missing buildrequires. See root.log for details. ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -ba --noprep --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'], chrootPath='/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '2716840b20ca4e6a8fbf4ae6767bdc6e', '-D', '/var/lib/mock/centos-stream+epel-9-x86_64-1648589228.150570/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.covfigzt:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -ba --noprep --target x86_64 --nodeps /builddir/build/SPECS/python-psiresp.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1648425600 Executing(%generate_buildrequires): /bin/sh -e /var/tmp/rpm-tmp.ACku5S + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + echo pyproject-rpm-macros + echo python3-devel + echo 'python3dist(pip) >= 19' + echo 'python3dist(packaging)' + '[' -f pyproject.toml ']' + echo 'python3dist(toml)' + rm -rfv psiresp.dist-info/ removed 'psiresp.dist-info/LICENSE' removed 'psiresp.dist-info/METADATA' removed 'psiresp.dist-info/top_level.txt' removed directory 'psiresp.dist-info/' + '[' -f /usr/bin/python3 ']' + RPM_TOXENV=py39 + HOSTNAME=rpmbuild + /usr/bin/python3 -s /usr/lib/rpm/redhat/pyproject_buildrequires.py --generate-extras --python3_pkgversion 3 -r Handling setuptools >= 40.8 from default build backend Requirement satisfied: setuptools >= 40.8 (installed: setuptools 53.0.0) Handling wheel from default build backend Requirement satisfied: wheel (installed: wheel 0.36.2) /usr/lib/python3.9/site-packages/setuptools/dist.py:466: UserWarning: Normalizing 'v0.4.1' to '0.4.1' warnings.warn(tmpl.format(**locals())) warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution HOOK STDOUT: running egg_info HOOK STDOUT: creating psiresp.egg-info HOOK STDOUT: writing psiresp.egg-info/PKG-INFO HOOK STDOUT: writing dependency_links to psiresp.egg-info/dependency_links.txt HOOK STDOUT: writing requirements to psiresp.egg-info/requires.txt HOOK STDOUT: writing top-level names to psiresp.egg-info/top_level.txt HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest template 'MANIFEST.in' HOOK STDOUT: adding license file 'LICENSE' HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' Handling wheel from get_requires_for_build_wheel Requirement satisfied: wheel (installed: wheel 0.36.2) warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution HOOK STDOUT: running dist_info HOOK STDOUT: writing psiresp.egg-info/PKG-INFO HOOK STDOUT: writing dependency_links to psiresp.egg-info/dependency_links.txt HOOK STDOUT: writing requirements to psiresp.egg-info/requires.txt HOOK STDOUT: writing top-level names to psiresp.egg-info/top_level.txt HOOK STDOUT: reading manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: reading manifest template 'MANIFEST.in' HOOK STDOUT: adding license file 'LICENSE' HOOK STDOUT: writing manifest file 'psiresp.egg-info/SOURCES.txt' HOOK STDOUT: creating '/builddir/build/BUILD/psiresp-0.4.1/psiresp.dist-info' HOOK STDOUT: adding license file "LICENSE" (matched pattern "LICEN[CS]E*") Handling msgpack-python from wheel metadata: Requires-Dist Requirement not satisfied: msgpack-python Handling numpy from wheel metadata: Requires-Dist Requirement satisfied: numpy (installed: numpy 1.20.1) Handling qcelemental from wheel metadata: Requires-Dist Requirement satisfied: qcelemental (installed: qcelemental 0.24.0) Handling requests from wheel metadata: Requires-Dist Requirement satisfied: requests (installed: requests 2.27.1) Handling scipy (>=1.4) from wheel metadata: Requires-Dist Requirement satisfied: scipy (>=1.4) (installed: scipy 1.6.2) Handling tqdm from wheel metadata: Requires-Dist Requirement satisfied: tqdm (installed: tqdm 4.63.0) Handling typing-extensions from wheel metadata: Requires-Dist Requirement satisfied: typing-extensions (installed: typing-extensions 4.1.1) + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.uElifs + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + mkdir -p /builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + 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 ' + TMPDIR=/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir + /usr/bin/python3 -m pip wheel --wheel-dir /builddir/build/BUILD/psiresp-0.4.1/pyproject-wheeldir --no-deps --use-pep517 --no-build-isolation --disable-pip-version-check --no-clean --progress-bar off --verbose . Processing /builddir/build/BUILD/psiresp-0.4.1 Preparing metadata (pyproject.toml): started Running command Preparing metadata (pyproject.toml) /usr/lib/python3.9/site-packages/setuptools/dist.py:466: UserWarning: Normalizing 'v0.4.1' to '0.4.1' warnings.warn(tmpl.format(**locals())) running dist_info creating /builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info writing /builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/PKG-INFO writing dependency_links to /builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/dependency_links.txt writing requirements to /builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/requires.txt writing top-level names to /builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/top_level.txt writing manifest file '/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/SOURCES.txt' reading manifest file '/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution adding license file 'LICENSE' writing manifest file '/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.egg-info/SOURCES.txt' creating '/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-modern-metadata-vhv5ebcs/psiresp.dist-info' adding license file "LICENSE" (matched pattern "LICEN[CS]E*") Preparing metadata (pyproject.toml): finished with status 'done' Building wheels for collected packages: psiresp Building wheel for psiresp (pyproject.toml): started Running command Building wheel for psiresp (pyproject.toml) /usr/lib/python3.9/site-packages/setuptools/dist.py:466: UserWarning: Normalizing 'v0.4.1' to '0.4.1' warnings.warn(tmpl.format(**locals())) running bdist_wheel running build running build_py creating build creating build/lib creating build/lib/psiresp copying psiresp/vdwradii.py -> build/lib/psiresp copying psiresp/utils.py -> build/lib/psiresp copying psiresp/testing.py -> build/lib/psiresp copying psiresp/resp.py -> build/lib/psiresp copying psiresp/rdutils.py -> build/lib/psiresp copying psiresp/qm.py -> build/lib/psiresp copying psiresp/qcutils.py -> build/lib/psiresp copying psiresp/psi4utils.py -> build/lib/psiresp copying psiresp/orutils.py -> build/lib/psiresp copying psiresp/orientation.py -> build/lib/psiresp copying psiresp/moleculebase.py -> build/lib/psiresp copying psiresp/molecule.py -> build/lib/psiresp copying psiresp/mdautils.py -> build/lib/psiresp copying psiresp/job.py -> build/lib/psiresp copying psiresp/grid.py -> build/lib/psiresp copying psiresp/due.py -> build/lib/psiresp copying psiresp/constraint.py -> build/lib/psiresp copying psiresp/conformer.py -> build/lib/psiresp copying psiresp/configs.py -> build/lib/psiresp copying psiresp/charge.py -> build/lib/psiresp copying psiresp/base.py -> build/lib/psiresp copying psiresp/_version.py -> build/lib/psiresp copying psiresp/__init__.py -> build/lib/psiresp creating build/lib/psiresp/tests copying psiresp/tests/utils.py -> build/lib/psiresp/tests copying psiresp/tests/test_utils.py -> build/lib/psiresp/tests copying psiresp/tests/test_rdutils.py -> build/lib/psiresp/tests copying psiresp/tests/test_qm.py -> build/lib/psiresp/tests copying psiresp/tests/test_psi4utils.py -> build/lib/psiresp/tests copying psiresp/tests/test_orientation.py -> build/lib/psiresp/tests copying psiresp/tests/test_moleculebase.py -> build/lib/psiresp/tests copying psiresp/tests/test_molecule.py -> build/lib/psiresp/tests copying psiresp/tests/test_job.py -> build/lib/psiresp/tests copying psiresp/tests/test_grid.py -> build/lib/psiresp/tests copying psiresp/tests/test_configs.py -> build/lib/psiresp/tests copying psiresp/tests/test_charge.py -> build/lib/psiresp/tests copying psiresp/tests/test_base.py -> build/lib/psiresp/tests copying psiresp/tests/datafiles.py -> build/lib/psiresp/tests copying psiresp/tests/conftest.py -> build/lib/psiresp/tests copying psiresp/tests/__init__.py -> build/lib/psiresp/tests creating build/lib/psiresp/tests/fixtures copying psiresp/tests/fixtures/qcrecords.py -> build/lib/psiresp/tests/fixtures copying psiresp/tests/fixtures/qcmols.py -> build/lib/psiresp/tests/fixtures copying psiresp/tests/fixtures/options.py -> build/lib/psiresp/tests/fixtures copying psiresp/tests/fixtures/molecules.py -> build/lib/psiresp/tests/fixtures copying psiresp/tests/fixtures/__init__.py -> build/lib/psiresp/tests/fixtures running egg_info creating psiresp.egg-info writing psiresp.egg-info/PKG-INFO writing dependency_links to psiresp.egg-info/dependency_links.txt writing requirements to psiresp.egg-info/requires.txt writing top-level names to psiresp.egg-info/top_level.txt writing manifest file 'psiresp.egg-info/SOURCES.txt' reading manifest file 'psiresp.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' warning: no previously-included files matching '*.py[cod]' found anywhere in distribution warning: no previously-included files matching '__pycache__' found anywhere in distribution warning: no previously-included files matching '*.so' found anywhere in distribution adding license file 'LICENSE' writing manifest file 'psiresp.egg-info/SOURCES.txt' copying psiresp/tests/timer.dat -> build/lib/psiresp/tests creating build/lib/psiresp/tests/data copying psiresp/tests/data/.DS_Store -> build/lib/psiresp/tests/data copying psiresp/tests/data/database.psql -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_job_with_orientation_energies.json -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_opt_c1.esp -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_opt_c1_o1.esp -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_opt_c1_o1_r_inv.dat -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_opt_c1_o2.esp -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_opt_c1_o2_r_inv.dat -> build/lib/psiresp/tests/data copying psiresp/tests/data/dmso_opt_c1_r_inv.dat -> build/lib/psiresp/tests/data copying psiresp/tests/data/stage_2_constraints_a.dat -> build/lib/psiresp/tests/data copying psiresp/tests/data/stage_2_constraints_b.dat -> build/lib/psiresp/tests/data creating build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/amm_dimethyl_espA1.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/amm_dimethyl_respA1.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/amm_dimethyl_respA2.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/dmso_c1_o0_ATB.itp -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/dmso_c1_o2_espA1.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/dmso_c1_o2_espA2.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/dmso_c1_o2_respA1.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/dmso_c1_o2_respA2.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/isopropanol_c1_o0_ATB.itp -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/methane_c1_o0_ATB.itp -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_espA1.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_respA1.dat -> build/lib/psiresp/tests/data/charges copying psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_respA2.dat -> build/lib/psiresp/tests/data/charges creating build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/0c7e913c4a8462f7181fc25edf913be91be8d7c4_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/0c7e913c4a8462f7181fc25edf913be91be8d7c4_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/124d04dfe8b2a898e8757c21bf4b317bff9c5565_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/124d04dfe8b2a898e8757c21bf4b317bff9c5565_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/24c2ba5fc86cfb5827cec0763cd6a104ca7bf503_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/24c2ba5fc86cfb5827cec0763cd6a104ca7bf503_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/27c00e84078b824244612107da714196f49424cd_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/27c00e84078b824244612107da714196f49424cd_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/2e43c8fdc95dd6c49c47c5dedeec3c36faea3419_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/2e43c8fdc95dd6c49c47c5dedeec3c36faea3419_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/3ec849bebba8d4b8054b40a889b681d861afc28b_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/3ec849bebba8d4b8054b40a889b681d861afc28b_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/4d7331ba8d65f69230c53e612f3bc259271675a0_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/4d7331ba8d65f69230c53e612f3bc259271675a0_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/5522973281a29d00873575078945db705e9e0167_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/5522973281a29d00873575078945db705e9e0167_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/5536bc6a52953c07b31bf82f85c8e90f2142cccf_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/5536bc6a52953c07b31bf82f85c8e90f2142cccf_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/607de52ef03791820ad946978d48703837b9338c_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/607de52ef03791820ad946978d48703837b9338c_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/8776ca97115f78967cccc3dbc89c5530891000db_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/8776ca97115f78967cccc3dbc89c5530891000db_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/88e9f915b9eada2a939a0d016033cb416f315623_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/88e9f915b9eada2a939a0d016033cb416f315623_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/9c238f89ce96be5fa49dcc573da7c3e1c5c1c8be_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/9c238f89ce96be5fa49dcc573da7c3e1c5c1c8be_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/b0c29acf123f315701270db40c236f6c1c49075d_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/b0c29acf123f315701270db40c236f6c1c49075d_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/b67afa207bdbca8366109559848f7280f6c4c8a5_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/b67afa207bdbca8366109559848f7280f6c4c8a5_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/d7431fb07f1a2efe4bba5b2e7636a036ca2eb198_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/d7431fb07f1a2efe4bba5b2e7636a036ca2eb198_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/da2a0eaa440175fbcb099bd6b74de7ac980c9b50_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/da2a0eaa440175fbcb099bd6b74de7ac980c9b50_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/daaa75b70b8b2b50a22d1441439a1affcb9be48d_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/daaa75b70b8b2b50a22d1441439a1affcb9be48d_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/f89123fc2d3aad42f5078417f9ba9e44bbf8000d_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/f89123fc2d3aad42f5078417f9ba9e44bbf8000d_grid.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/fb5c3ad3a48ef8e5eeef9fbc337822322ad1ad41_esp.dat -> build/lib/psiresp/tests/data/esps copying psiresp/tests/data/esps/fb5c3ad3a48ef8e5eeef9fbc337822322ad1ad41_grid.dat -> build/lib/psiresp/tests/data/esps creating build/lib/psiresp/tests/data/esps/.ipynb_checkpoints copying psiresp/tests/data/esps/.ipynb_checkpoints/Untitled-checkpoint.ipynb -> build/lib/psiresp/tests/data/esps/.ipynb_checkpoints creating build/lib/psiresp/tests/data/jobs copying psiresp/tests/data/jobs/amm_nme_resp.json -> build/lib/psiresp/tests/data/jobs copying psiresp/tests/data/jobs/trifluoroethanol.json -> build/lib/psiresp/tests/data/jobs creating build/lib/psiresp/tests/data/manual_jobs creating build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory creating build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/C7H14N2O2_9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/C7H14N2O2_abb25794aba793b7bf575666eaefae61736f254e_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/CH6N_795ee2a77c6a4347fd76ed1ab0f8c486d24a2238_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/run_optimization.sh -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization creating build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_0c7e913c4a8462f7181fc25edf913be91be8d7c4_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_3ec849bebba8d4b8054b40a889b681d861afc28b_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_4d7331ba8d65f69230c53e612f3bc259271675a0_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_5536bc6a52953c07b31bf82f85c8e90f2142cccf_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_607de52ef03791820ad946978d48703837b9338c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_da2a0eaa440175fbcb099bd6b74de7ac980c9b50_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_daaa75b70b8b2b50a22d1441439a1affcb9be48d_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/CH6N_5522973281a29d00873575078945db705e9e0167_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/CH6N_ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/run_single_point.sh -> build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point creating build/lib/psiresp/tests/data/manual_jobs/symmetry_dir creating build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory creating build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/CHO2_ad28051bdb4b7e18c591adf3027440b6cf42164c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/run_single_point.sh -> build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point copying psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/timer.dat -> build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point creating build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/C00_R2_0.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/C00_R2_100.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/C00_R2_60.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/C64_R2_0.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/C64_R2_100.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/C64_R2_60.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/MPE_R2_0.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/MPE_R2_100.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/MPE_R2_60.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/PXY_R2_0.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/PXY_R2_100.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/PXY_R2_60.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/TOL_R2_0.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/TOL_R2_100.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/TOL_R2_60.mol2 -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/Untitled.ipynb -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/acetic_acid_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/acetic_acid_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/acetone_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/acetone_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/benzene_c1_opt.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_c1_ATB.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_c1_ATB_opt.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_opt_c1_o1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_opt_c1_o2.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_opt_c1_o3.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/dmso_opt_c1_o4.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/ethane.json -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/ethanol_resp2_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/ethanol_resp2_c2.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/ethanol_resp2_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/ethanol_resp2_opt_c2.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/formic_acid.json -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/isopropanol_c1_ATB.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/isopropanol_c1_ATB_opt.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methane_c1_ATB.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methane_c1_ATB_opt.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methanol_1993.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methanol_1993_c001_optimized_geometry.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methanol_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methanol_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methylammonium_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/methylammonium_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/nme2ala2_c2.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/nme2ala2_opt_c1.xyz -> build/lib/psiresp/tests/data/molecules copying psiresp/tests/data/molecules/nme2ala2_opt_c2.xyz -> build/lib/psiresp/tests/data/molecules creating build/lib/psiresp/tests/data/molecules/.ipynb_checkpoints copying psiresp/tests/data/molecules/.ipynb_checkpoints/Untitled-checkpoint.ipynb -> build/lib/psiresp/tests/data/molecules/.ipynb_checkpoints creating build/lib/psiresp/tests/data/surfaces copying psiresp/tests/data/surfaces/dmso_opt_c1_grid.npy -> build/lib/psiresp/tests/data/surfaces copying psiresp/tests/data/surfaces/dmso_opt_c1_o1_grid.npy -> build/lib/psiresp/tests/data/surfaces copying psiresp/tests/data/surfaces/dmso_opt_c1_o2_grid.npy -> build/lib/psiresp/tests/data/surfaces copying psiresp/tests/data/surfaces/surface_n3.dat -> build/lib/psiresp/tests/data/surfaces copying psiresp/tests/data/surfaces/surface_n64.dat -> build/lib/psiresp/tests/data/surfaces UPDATING build/lib/psiresp/_version.py set build/lib/psiresp/_version.py to 'v0.4.1' installing to build/bdist.linux-x86_64/wheel running install running install_lib creating build/bdist.linux-x86_64 creating build/bdist.linux-x86_64/wheel creating build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/_version.py -> build/bdist.linux-x86_64/wheel/psiresp creating build/bdist.linux-x86_64/wheel/psiresp/tests creating build/bdist.linux-x86_64/wheel/psiresp/tests/data creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/surfaces copying build/lib/psiresp/tests/data/surfaces/surface_n64.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/surfaces copying build/lib/psiresp/tests/data/surfaces/surface_n3.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/surfaces copying build/lib/psiresp/tests/data/surfaces/dmso_opt_c1_o2_grid.npy -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/surfaces copying build/lib/psiresp/tests/data/surfaces/dmso_opt_c1_o1_grid.npy -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/surfaces copying build/lib/psiresp/tests/data/surfaces/dmso_opt_c1_grid.npy -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/surfaces creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules/.ipynb_checkpoints copying build/lib/psiresp/tests/data/molecules/.ipynb_checkpoints/Untitled-checkpoint.ipynb -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules/.ipynb_checkpoints copying build/lib/psiresp/tests/data/molecules/nme2ala2_opt_c2.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/nme2ala2_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/nme2ala2_c2.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methylammonium_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methylammonium_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methanol_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methanol_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methanol_1993_c001_optimized_geometry.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methanol_1993.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methane_c1_ATB_opt.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/methane_c1_ATB.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/isopropanol_c1_ATB_opt.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/isopropanol_c1_ATB.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/formic_acid.json -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/ethanol_resp2_opt_c2.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/ethanol_resp2_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/ethanol_resp2_c2.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/ethanol_resp2_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/ethane.json -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_opt_c1_o4.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_opt_c1_o3.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_opt_c1_o2.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_opt_c1_o1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_c1_ATB_opt.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_c1_ATB.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/dmso_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/benzene_c1_opt.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/acetone_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/acetone_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/acetic_acid_opt_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/acetic_acid_c1.xyz -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/Untitled.ipynb -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/TOL_R2_60.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/TOL_R2_100.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/TOL_R2_0.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/PXY_R2_60.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/PXY_R2_100.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/PXY_R2_0.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/MPE_R2_60.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/MPE_R2_100.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/MPE_R2_0.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/C64_R2_60.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/C64_R2_100.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/C64_R2_0.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/C00_R2_60.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/C00_R2_100.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules copying build/lib/psiresp/tests/data/molecules/C00_R2_0.mol2 -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/molecules creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/symmetry_dir creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/timer.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/run_single_point.sh -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/CHO2_ad28051bdb4b7e18c591adf3027440b6cf42164c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/run_single_point.sh -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/CH6N_ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/CH6N_5522973281a29d00873575078945db705e9e0167_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_daaa75b70b8b2b50a22d1441439a1affcb9be48d_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_da2a0eaa440175fbcb099bd6b74de7ac980c9b50_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_607de52ef03791820ad946978d48703837b9338c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_5536bc6a52953c07b31bf82f85c8e90f2142cccf_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_4d7331ba8d65f69230c53e612f3bc259271675a0_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_3ec849bebba8d4b8054b40a889b681d861afc28b_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_0c7e913c4a8462f7181fc25edf913be91be8d7c4_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/run_optimization.sh -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/CH6N_795ee2a77c6a4347fd76ed1ab0f8c486d24a2238_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/C7H14N2O2_abb25794aba793b7bf575666eaefae61736f254e_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization copying build/lib/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/C7H14N2O2_9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/jobs copying build/lib/psiresp/tests/data/jobs/trifluoroethanol.json -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/jobs copying build/lib/psiresp/tests/data/jobs/amm_nme_resp.json -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/jobs creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps/.ipynb_checkpoints copying build/lib/psiresp/tests/data/esps/.ipynb_checkpoints/Untitled-checkpoint.ipynb -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps/.ipynb_checkpoints copying build/lib/psiresp/tests/data/esps/fb5c3ad3a48ef8e5eeef9fbc337822322ad1ad41_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/fb5c3ad3a48ef8e5eeef9fbc337822322ad1ad41_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/f89123fc2d3aad42f5078417f9ba9e44bbf8000d_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/f89123fc2d3aad42f5078417f9ba9e44bbf8000d_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/daaa75b70b8b2b50a22d1441439a1affcb9be48d_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/daaa75b70b8b2b50a22d1441439a1affcb9be48d_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/da2a0eaa440175fbcb099bd6b74de7ac980c9b50_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/da2a0eaa440175fbcb099bd6b74de7ac980c9b50_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/d7431fb07f1a2efe4bba5b2e7636a036ca2eb198_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/d7431fb07f1a2efe4bba5b2e7636a036ca2eb198_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/b67afa207bdbca8366109559848f7280f6c4c8a5_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/b67afa207bdbca8366109559848f7280f6c4c8a5_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/b0c29acf123f315701270db40c236f6c1c49075d_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/b0c29acf123f315701270db40c236f6c1c49075d_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/9c238f89ce96be5fa49dcc573da7c3e1c5c1c8be_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/9c238f89ce96be5fa49dcc573da7c3e1c5c1c8be_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/88e9f915b9eada2a939a0d016033cb416f315623_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/88e9f915b9eada2a939a0d016033cb416f315623_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/8776ca97115f78967cccc3dbc89c5530891000db_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/8776ca97115f78967cccc3dbc89c5530891000db_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/607de52ef03791820ad946978d48703837b9338c_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/607de52ef03791820ad946978d48703837b9338c_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/5536bc6a52953c07b31bf82f85c8e90f2142cccf_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/5536bc6a52953c07b31bf82f85c8e90f2142cccf_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/5522973281a29d00873575078945db705e9e0167_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/5522973281a29d00873575078945db705e9e0167_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/4d7331ba8d65f69230c53e612f3bc259271675a0_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/4d7331ba8d65f69230c53e612f3bc259271675a0_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/3ec849bebba8d4b8054b40a889b681d861afc28b_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/3ec849bebba8d4b8054b40a889b681d861afc28b_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/2e43c8fdc95dd6c49c47c5dedeec3c36faea3419_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/2e43c8fdc95dd6c49c47c5dedeec3c36faea3419_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/27c00e84078b824244612107da714196f49424cd_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/27c00e84078b824244612107da714196f49424cd_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/24c2ba5fc86cfb5827cec0763cd6a104ca7bf503_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/24c2ba5fc86cfb5827cec0763cd6a104ca7bf503_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/124d04dfe8b2a898e8757c21bf4b317bff9c5565_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/124d04dfe8b2a898e8757c21bf4b317bff9c5565_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/0c7e913c4a8462f7181fc25edf913be91be8d7c4_grid.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps copying build/lib/psiresp/tests/data/esps/0c7e913c4a8462f7181fc25edf913be91be8d7c4_esp.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/esps creating build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_respA2.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_respA1.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_espA1.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/methane_c1_o0_ATB.itp -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/isopropanol_c1_o0_ATB.itp -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/dmso_c1_o2_respA2.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/dmso_c1_o2_respA1.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/dmso_c1_o2_espA2.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/dmso_c1_o2_espA1.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/dmso_c1_o0_ATB.itp -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/amm_dimethyl_respA2.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/amm_dimethyl_respA1.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/charges/amm_dimethyl_espA1.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data/charges copying build/lib/psiresp/tests/data/stage_2_constraints_b.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/stage_2_constraints_a.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_opt_c1_r_inv.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_opt_c1_o2_r_inv.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_opt_c1_o2.esp -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_opt_c1_o1_r_inv.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_opt_c1_o1.esp -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_opt_c1.esp -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/dmso_job_with_orientation_energies.json -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/database.psql -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/data/.DS_Store -> build/bdist.linux-x86_64/wheel/psiresp/tests/data copying build/lib/psiresp/tests/timer.dat -> build/bdist.linux-x86_64/wheel/psiresp/tests creating build/bdist.linux-x86_64/wheel/psiresp/tests/fixtures copying build/lib/psiresp/tests/fixtures/__init__.py -> build/bdist.linux-x86_64/wheel/psiresp/tests/fixtures copying build/lib/psiresp/tests/fixtures/molecules.py -> build/bdist.linux-x86_64/wheel/psiresp/tests/fixtures copying build/lib/psiresp/tests/fixtures/options.py -> build/bdist.linux-x86_64/wheel/psiresp/tests/fixtures copying build/lib/psiresp/tests/fixtures/qcmols.py -> build/bdist.linux-x86_64/wheel/psiresp/tests/fixtures copying build/lib/psiresp/tests/fixtures/qcrecords.py -> build/bdist.linux-x86_64/wheel/psiresp/tests/fixtures copying build/lib/psiresp/tests/__init__.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/conftest.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/datafiles.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_base.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_charge.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_configs.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_grid.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_job.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_molecule.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_moleculebase.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_orientation.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_psi4utils.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_qm.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_rdutils.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/test_utils.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/tests/utils.py -> build/bdist.linux-x86_64/wheel/psiresp/tests copying build/lib/psiresp/__init__.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/base.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/charge.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/configs.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/conformer.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/constraint.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/due.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/grid.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/job.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/mdautils.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/molecule.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/moleculebase.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/orientation.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/orutils.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/psi4utils.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/qcutils.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/qm.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/rdutils.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/resp.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/testing.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/utils.py -> build/bdist.linux-x86_64/wheel/psiresp copying build/lib/psiresp/vdwradii.py -> build/bdist.linux-x86_64/wheel/psiresp running install_egg_info Copying psiresp.egg-info to build/bdist.linux-x86_64/wheel/psiresp-0.4.1-py3.9.egg-info running install_scripts adding license file "LICENSE" (matched pattern "LICEN[CS]E*") creating build/bdist.linux-x86_64/wheel/psiresp-0.4.1.dist-info/WHEEL creating '/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir/pip-wheel-ll79dxsf/tmpfio1yvqk/psiresp-0.4.1-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it adding 'psiresp/__init__.py' adding 'psiresp/_version.py' adding 'psiresp/base.py' adding 'psiresp/charge.py' adding 'psiresp/configs.py' adding 'psiresp/conformer.py' adding 'psiresp/constraint.py' adding 'psiresp/due.py' adding 'psiresp/grid.py' adding 'psiresp/job.py' adding 'psiresp/mdautils.py' adding 'psiresp/molecule.py' adding 'psiresp/moleculebase.py' adding 'psiresp/orientation.py' adding 'psiresp/orutils.py' adding 'psiresp/psi4utils.py' adding 'psiresp/qcutils.py' adding 'psiresp/qm.py' adding 'psiresp/rdutils.py' adding 'psiresp/resp.py' adding 'psiresp/testing.py' adding 'psiresp/utils.py' adding 'psiresp/vdwradii.py' adding 'psiresp/tests/__init__.py' adding 'psiresp/tests/conftest.py' adding 'psiresp/tests/datafiles.py' adding 'psiresp/tests/test_base.py' adding 'psiresp/tests/test_charge.py' adding 'psiresp/tests/test_configs.py' adding 'psiresp/tests/test_grid.py' adding 'psiresp/tests/test_job.py' adding 'psiresp/tests/test_molecule.py' adding 'psiresp/tests/test_moleculebase.py' adding 'psiresp/tests/test_orientation.py' adding 'psiresp/tests/test_psi4utils.py' adding 'psiresp/tests/test_qm.py' adding 'psiresp/tests/test_rdutils.py' adding 'psiresp/tests/test_utils.py' adding 'psiresp/tests/timer.dat' adding 'psiresp/tests/utils.py' adding 'psiresp/tests/data/.DS_Store' adding 'psiresp/tests/data/database.psql' adding 'psiresp/tests/data/dmso_job_with_orientation_energies.json' adding 'psiresp/tests/data/dmso_opt_c1.esp' adding 'psiresp/tests/data/dmso_opt_c1_o1.esp' adding 'psiresp/tests/data/dmso_opt_c1_o1_r_inv.dat' adding 'psiresp/tests/data/dmso_opt_c1_o2.esp' adding 'psiresp/tests/data/dmso_opt_c1_o2_r_inv.dat' adding 'psiresp/tests/data/dmso_opt_c1_r_inv.dat' adding 'psiresp/tests/data/stage_2_constraints_a.dat' adding 'psiresp/tests/data/stage_2_constraints_b.dat' adding 'psiresp/tests/data/charges/amm_dimethyl_espA1.dat' adding 'psiresp/tests/data/charges/amm_dimethyl_respA1.dat' adding 'psiresp/tests/data/charges/amm_dimethyl_respA2.dat' adding 'psiresp/tests/data/charges/dmso_c1_o0_ATB.itp' adding 'psiresp/tests/data/charges/dmso_c1_o2_espA1.dat' adding 'psiresp/tests/data/charges/dmso_c1_o2_espA2.dat' adding 'psiresp/tests/data/charges/dmso_c1_o2_respA1.dat' adding 'psiresp/tests/data/charges/dmso_c1_o2_respA2.dat' adding 'psiresp/tests/data/charges/isopropanol_c1_o0_ATB.itp' adding 'psiresp/tests/data/charges/methane_c1_o0_ATB.itp' adding 'psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_espA1.dat' adding 'psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_respA1.dat' adding 'psiresp/tests/data/charges/nme2ala2_multifit_constr_c2_o4_respA2.dat' adding 'psiresp/tests/data/esps/0c7e913c4a8462f7181fc25edf913be91be8d7c4_esp.dat' adding 'psiresp/tests/data/esps/0c7e913c4a8462f7181fc25edf913be91be8d7c4_grid.dat' adding 'psiresp/tests/data/esps/124d04dfe8b2a898e8757c21bf4b317bff9c5565_esp.dat' adding 'psiresp/tests/data/esps/124d04dfe8b2a898e8757c21bf4b317bff9c5565_grid.dat' adding 'psiresp/tests/data/esps/24c2ba5fc86cfb5827cec0763cd6a104ca7bf503_esp.dat' adding 'psiresp/tests/data/esps/24c2ba5fc86cfb5827cec0763cd6a104ca7bf503_grid.dat' adding 'psiresp/tests/data/esps/27c00e84078b824244612107da714196f49424cd_esp.dat' adding 'psiresp/tests/data/esps/27c00e84078b824244612107da714196f49424cd_grid.dat' adding 'psiresp/tests/data/esps/2e43c8fdc95dd6c49c47c5dedeec3c36faea3419_esp.dat' adding 'psiresp/tests/data/esps/2e43c8fdc95dd6c49c47c5dedeec3c36faea3419_grid.dat' adding 'psiresp/tests/data/esps/3ec849bebba8d4b8054b40a889b681d861afc28b_esp.dat' adding 'psiresp/tests/data/esps/3ec849bebba8d4b8054b40a889b681d861afc28b_grid.dat' adding 'psiresp/tests/data/esps/4d7331ba8d65f69230c53e612f3bc259271675a0_esp.dat' adding 'psiresp/tests/data/esps/4d7331ba8d65f69230c53e612f3bc259271675a0_grid.dat' adding 'psiresp/tests/data/esps/5522973281a29d00873575078945db705e9e0167_esp.dat' adding 'psiresp/tests/data/esps/5522973281a29d00873575078945db705e9e0167_grid.dat' adding 'psiresp/tests/data/esps/5536bc6a52953c07b31bf82f85c8e90f2142cccf_esp.dat' adding 'psiresp/tests/data/esps/5536bc6a52953c07b31bf82f85c8e90f2142cccf_grid.dat' adding 'psiresp/tests/data/esps/5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_esp.dat' adding 'psiresp/tests/data/esps/5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_grid.dat' adding 'psiresp/tests/data/esps/607de52ef03791820ad946978d48703837b9338c_esp.dat' adding 'psiresp/tests/data/esps/607de52ef03791820ad946978d48703837b9338c_grid.dat' adding 'psiresp/tests/data/esps/8776ca97115f78967cccc3dbc89c5530891000db_esp.dat' adding 'psiresp/tests/data/esps/8776ca97115f78967cccc3dbc89c5530891000db_grid.dat' adding 'psiresp/tests/data/esps/88e9f915b9eada2a939a0d016033cb416f315623_esp.dat' adding 'psiresp/tests/data/esps/88e9f915b9eada2a939a0d016033cb416f315623_grid.dat' adding 'psiresp/tests/data/esps/9c238f89ce96be5fa49dcc573da7c3e1c5c1c8be_esp.dat' adding 'psiresp/tests/data/esps/9c238f89ce96be5fa49dcc573da7c3e1c5c1c8be_grid.dat' adding 'psiresp/tests/data/esps/9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_esp.dat' adding 'psiresp/tests/data/esps/9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_grid.dat' adding 'psiresp/tests/data/esps/b0c29acf123f315701270db40c236f6c1c49075d_esp.dat' adding 'psiresp/tests/data/esps/b0c29acf123f315701270db40c236f6c1c49075d_grid.dat' adding 'psiresp/tests/data/esps/b67afa207bdbca8366109559848f7280f6c4c8a5_esp.dat' adding 'psiresp/tests/data/esps/b67afa207bdbca8366109559848f7280f6c4c8a5_grid.dat' adding 'psiresp/tests/data/esps/d7431fb07f1a2efe4bba5b2e7636a036ca2eb198_esp.dat' adding 'psiresp/tests/data/esps/d7431fb07f1a2efe4bba5b2e7636a036ca2eb198_grid.dat' adding 'psiresp/tests/data/esps/da2a0eaa440175fbcb099bd6b74de7ac980c9b50_esp.dat' adding 'psiresp/tests/data/esps/da2a0eaa440175fbcb099bd6b74de7ac980c9b50_grid.dat' adding 'psiresp/tests/data/esps/daaa75b70b8b2b50a22d1441439a1affcb9be48d_esp.dat' adding 'psiresp/tests/data/esps/daaa75b70b8b2b50a22d1441439a1affcb9be48d_grid.dat' adding 'psiresp/tests/data/esps/ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_esp.dat' adding 'psiresp/tests/data/esps/ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_grid.dat' adding 'psiresp/tests/data/esps/f89123fc2d3aad42f5078417f9ba9e44bbf8000d_esp.dat' adding 'psiresp/tests/data/esps/f89123fc2d3aad42f5078417f9ba9e44bbf8000d_grid.dat' adding 'psiresp/tests/data/esps/fb5c3ad3a48ef8e5eeef9fbc337822322ad1ad41_esp.dat' adding 'psiresp/tests/data/esps/fb5c3ad3a48ef8e5eeef9fbc337822322ad1ad41_grid.dat' adding 'psiresp/tests/data/esps/.ipynb_checkpoints/Untitled-checkpoint.ipynb' adding 'psiresp/tests/data/jobs/amm_nme_resp.json' adding 'psiresp/tests/data/jobs/trifluoroethanol.json' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/C7H14N2O2_9ee96ceb2aec1b0d4b5c53ad3ae9e61d546f6717_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/C7H14N2O2_abb25794aba793b7bf575666eaefae61736f254e_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/CH6N_795ee2a77c6a4347fd76ed1ab0f8c486d24a2238_3295dc7332cc740b0c698580ccc3dd1759e5b5fe.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/optimization/run_optimization.sh' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_0c7e913c4a8462f7181fc25edf913be91be8d7c4_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_3ec849bebba8d4b8054b40a889b681d861afc28b_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_4d7331ba8d65f69230c53e612f3bc259271675a0_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_5536bc6a52953c07b31bf82f85c8e90f2142cccf_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_5899f84c638c2be4f9e3ba4cd9beedff56c6cc3c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_607de52ef03791820ad946978d48703837b9338c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_da2a0eaa440175fbcb099bd6b74de7ac980c9b50_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/C7H14N2O2_daaa75b70b8b2b50a22d1441439a1affcb9be48d_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/CH6N_5522973281a29d00873575078945db705e9e0167_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/CH6N_ecb8b34e0b75ae8e0a73bc53bdd6a4d5c1a5b5c2_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/psiresp_working_directory/single_point/run_single_point.sh' adding 'psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/CHO2_ad28051bdb4b7e18c591adf3027440b6cf42164c_4d9bb6d245f75e8aea535e7b9676614d130d864b.msgpack' adding 'psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/run_single_point.sh' adding 'psiresp/tests/data/manual_jobs/symmetry_dir/psiresp_working_directory/single_point/timer.dat' adding 'psiresp/tests/data/molecules/C00_R2_0.mol2' adding 'psiresp/tests/data/molecules/C00_R2_100.mol2' adding 'psiresp/tests/data/molecules/C00_R2_60.mol2' adding 'psiresp/tests/data/molecules/C64_R2_0.mol2' adding 'psiresp/tests/data/molecules/C64_R2_100.mol2' adding 'psiresp/tests/data/molecules/C64_R2_60.mol2' adding 'psiresp/tests/data/molecules/MPE_R2_0.mol2' adding 'psiresp/tests/data/molecules/MPE_R2_100.mol2' adding 'psiresp/tests/data/molecules/MPE_R2_60.mol2' adding 'psiresp/tests/data/molecules/PXY_R2_0.mol2' adding 'psiresp/tests/data/molecules/PXY_R2_100.mol2' adding 'psiresp/tests/data/molecules/PXY_R2_60.mol2' adding 'psiresp/tests/data/molecules/TOL_R2_0.mol2' adding 'psiresp/tests/data/molecules/TOL_R2_100.mol2' adding 'psiresp/tests/data/molecules/TOL_R2_60.mol2' adding 'psiresp/tests/data/molecules/Untitled.ipynb' adding 'psiresp/tests/data/molecules/acetic_acid_c1.xyz' adding 'psiresp/tests/data/molecules/acetic_acid_opt_c1.xyz' adding 'psiresp/tests/data/molecules/acetone_c1.xyz' adding 'psiresp/tests/data/molecules/acetone_opt_c1.xyz' adding 'psiresp/tests/data/molecules/benzene_c1_opt.xyz' adding 'psiresp/tests/data/molecules/dmso_c1.xyz' adding 'psiresp/tests/data/molecules/dmso_c1_ATB.xyz' adding 'psiresp/tests/data/molecules/dmso_c1_ATB_opt.xyz' adding 'psiresp/tests/data/molecules/dmso_opt_c1.xyz' adding 'psiresp/tests/data/molecules/dmso_opt_c1_o1.xyz' adding 'psiresp/tests/data/molecules/dmso_opt_c1_o2.xyz' adding 'psiresp/tests/data/molecules/dmso_opt_c1_o3.xyz' adding 'psiresp/tests/data/molecules/dmso_opt_c1_o4.xyz' adding 'psiresp/tests/data/molecules/ethane.json' adding 'psiresp/tests/data/molecules/ethanol_resp2_c1.xyz' adding 'psiresp/tests/data/molecules/ethanol_resp2_c2.xyz' adding 'psiresp/tests/data/molecules/ethanol_resp2_opt_c1.xyz' adding 'psiresp/tests/data/molecules/ethanol_resp2_opt_c2.xyz' adding 'psiresp/tests/data/molecules/formic_acid.json' adding 'psiresp/tests/data/molecules/isopropanol_c1_ATB.xyz' adding 'psiresp/tests/data/molecules/isopropanol_c1_ATB_opt.xyz' adding 'psiresp/tests/data/molecules/methane_c1_ATB.xyz' adding 'psiresp/tests/data/molecules/methane_c1_ATB_opt.xyz' adding 'psiresp/tests/data/molecules/methanol_1993.xyz' adding 'psiresp/tests/data/molecules/methanol_1993_c001_optimized_geometry.xyz' adding 'psiresp/tests/data/molecules/methanol_c1.xyz' adding 'psiresp/tests/data/molecules/methanol_opt_c1.xyz' adding 'psiresp/tests/data/molecules/methylammonium_c1.xyz' adding 'psiresp/tests/data/molecules/methylammonium_opt_c1.xyz' adding 'psiresp/tests/data/molecules/nme2ala2_c2.xyz' adding 'psiresp/tests/data/molecules/nme2ala2_opt_c1.xyz' adding 'psiresp/tests/data/molecules/nme2ala2_opt_c2.xyz' adding 'psiresp/tests/data/molecules/.ipynb_checkpoints/Untitled-checkpoint.ipynb' adding 'psiresp/tests/data/surfaces/dmso_opt_c1_grid.npy' adding 'psiresp/tests/data/surfaces/dmso_opt_c1_o1_grid.npy' adding 'psiresp/tests/data/surfaces/dmso_opt_c1_o2_grid.npy' adding 'psiresp/tests/data/surfaces/surface_n3.dat' adding 'psiresp/tests/data/surfaces/surface_n64.dat' adding 'psiresp/tests/fixtures/__init__.py' adding 'psiresp/tests/fixtures/molecules.py' adding 'psiresp/tests/fixtures/options.py' adding 'psiresp/tests/fixtures/qcmols.py' adding 'psiresp/tests/fixtures/qcrecords.py' adding 'psiresp-0.4.1.dist-info/LICENSE' adding 'psiresp-0.4.1.dist-info/METADATA' adding 'psiresp-0.4.1.dist-info/WHEEL' adding 'psiresp-0.4.1.dist-info/top_level.txt' adding 'psiresp-0.4.1.dist-info/RECORD' removing build/bdist.linux-x86_64/wheel Building wheel for psiresp (pyproject.toml): finished with status 'done' Created wheel for psiresp: filename=psiresp-0.4.1-py3-none-any.whl size=49681197 sha256=cbec330016c7786f972c132af41e4bf757bfca6ccefbe4d8cf4a9110745d59fd Stored in directory: /builddir/.cache/pip/wheels/23/4b/76/21568decd7fda350ce96f1d4b67641d41d2b95e9547230d575 Successfully built psiresp + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.ZWIKxI + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 ++ dirname /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 + cd psiresp-0.4.1 ++ ls /builddir/build/BUILD/psiresp-0.4.1/pyproject-wheeldir/psiresp-0.4.1-py3-none-any.whl ++ sed -E 's/([^-]+)-([^-]+)-.+\.whl/\1==\2/' ++ xargs basename --multiple + specifier=psiresp==0.4.1 + TMPDIR=/builddir/build/BUILD/psiresp-0.4.1/.pyproject-builddir + /usr/bin/python3 -m pip install --root /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 --no-deps --disable-pip-version-check --progress-bar off --verbose --ignore-installed --no-warn-script-location --no-index --no-cache-dir --find-links /builddir/build/BUILD/psiresp-0.4.1/pyproject-wheeldir psiresp==0.4.1 Using pip 22.0.4 from /usr/lib/python3.9/site-packages/pip (python 3.9) Looking in links: /builddir/build/BUILD/psiresp-0.4.1/pyproject-wheeldir Processing ./pyproject-wheeldir/psiresp-0.4.1-py3-none-any.whl Installing collected packages: psiresp Successfully installed psiresp-0.4.1 + '[' -d /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/bin ']' + rm -f /builddir/build/BUILD/pyproject-ghost-distinfo + site_dirs=() + '[' -d /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages ']' + site_dirs+=("/usr/lib/python3.9/site-packages") + '[' /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib64/python3.9/site-packages '!=' /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages ']' + '[' -d /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib64/python3.9/site-packages ']' + for site_dir in ${site_dirs[@]} + for distinfo in /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64$site_dir/*.dist-info + echo '%ghost /usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info' + sed -i s/pip/rpm/ /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info/INSTALLER + PYTHONPATH=/usr/lib/rpm/redhat + /usr/bin/python3 -B /usr/lib/rpm/redhat/pyproject_preprocess_record.py --buildroot /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 --record /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info/RECORD --output /builddir/build/BUILD/pyproject-record + rm -fv /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info/RECORD removed '/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info/RECORD' + rm -fv /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info/REQUESTED removed '/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp-0.4.1.dist-info/REQUESTED' ++ wc -l /builddir/build/BUILD/pyproject-ghost-distinfo ++ cut -f1 '-d ' + lines=1 + '[' 1 -ne 1 ']' + /usr/bin/python3 /usr/lib/rpm/redhat/pyproject_save_files.py --output-files /builddir/build/BUILD/pyproject-files --output-modules /builddir/build/BUILD/pyproject-modules --buildroot /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 --sitelib /usr/lib/python3.9/site-packages --sitearch /usr/lib64/python3.9/site-packages --python-version 3.9 --pyproject-record /builddir/build/BUILD/pyproject-record --prefix /usr '*' +auto + /usr/lib/rpm/find-debuginfo.sh -j2 --strict-build-id -m -i --build-id-seed 0.4.1-1.el9 --unique-debug-suffix -0.4.1-1.el9.x86_64 --unique-debug-src-base python-psiresp-0.4.1-1.el9.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/psiresp-0.4.1 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/redhat/brp-python-bytecompile '' 1 0 Bytecompiling .py files below /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9 using python3.9 + /usr/lib/rpm/brp-python-hardlink + /usr/lib/rpm/redhat/brp-mangle-shebangs *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/TOL_R2_60.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/TOL_R2_100.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/TOL_R2_0.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/PXY_R2_60.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/PXY_R2_100.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/PXY_R2_0.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/MPE_R2_60.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/MPE_R2_100.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/MPE_R2_0.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/C64_R2_60.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/C64_R2_100.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/C64_R2_0.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/C00_R2_60.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/C00_R2_100.mol2 is executable but has no shebang, removing executable bit *** WARNING: ./usr/lib/python3.9/site-packages/psiresp/tests/data/molecules/C00_R2_0.mol2 is executable but has no shebang, removing executable bit Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.uu3V7o + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + '[' '!' -f /builddir/build/BUILD/pyproject-modules ']' + PATH=/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + PYTHONPATH=/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib64/python3.9/site-packages:/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages + _PYTHONSITE=/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib64/python3.9/site-packages:/builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages + PYTHONDONTWRITEBYTECODE=1 + /usr/bin/python3 -s /usr/lib/rpm/redhat/import_all_modules.py -f /builddir/build/BUILD/pyproject-modules -t Check import: psiresp /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64/usr/lib/python3.9/site-packages/psiresp/charge.py:282: FutureWarning: `symmetric_atoms_are_equivalent` will be set to False by default for now, as it is a new feature. It will be set to True by default in the future warnings.warn( + RPM_EC=0 ++ jobs -p + exit 0 Processing files: python3-psiresp-0.4.1-1.el9.noarch Provides: python-psiresp = 0.4.1-1.el9 python3-psiresp = 0.4.1-1.el9 python3.9-psiresp = 0.4.1-1.el9 python3.9dist(psiresp) = 0.4.1 python3dist(psiresp) = 0.4.1 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: python(abi) = 3.9 python3.9dist(msgpack-python) python3.9dist(numpy) python3.9dist(qcelemental) python3.9dist(requests) python3.9dist(scipy) >= 1.4 python3.9dist(tqdm) python3.9dist(typing-extensions) Obsoletes: python39-psiresp < 0.4.1-1.el9 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 Wrote: /builddir/build/SRPMS/python-psiresp-0.4.1-1.el9.src.rpm Wrote: /builddir/build/RPMS/python3-psiresp-0.4.1-1.el9.noarch.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.yy2IBX + umask 022 + cd /builddir/build/BUILD + cd psiresp-0.4.1 + /usr/bin/rm -rf /builddir/build/BUILDROOT/python-psiresp-0.4.1-1.el9.x86_64 + RPM_EC=0 ++ jobs -p + exit 0 Child return code was: 0