Name: IQmol
Version: 3.1.5
Release: 2%{?dist}
Summary: A free open-source molecular editor and visualization package
# Automatically converted from old format: BSD and GPLv2+ and GPLv3+ - review is highly recommended.
License: LicenseRef-Callaway-BSD AND GPL-2.0-or-later AND GPL-3.0-or-later
URL: http://iqmol.org
Source0: https://github.com/nutjunkie/IQmol3/archive/v%{version}/%{name}-%{version}.tar.gz
# Patch in correct fragment and QChem interface setting directory
Patch1: IQmol3-fragdir.patch
# Don't mess with OpenBabel's directories
Patch4: IQmol-2.13-openbabel.patch
# Fix CMake build
Patch5: IQmol-3.1.4-cmake.patch
# Use external QMSGBox headers
Patch6: IQmol3-qmsgbox.patch
# Add missing interdependencies
Patch7: IQmol-3.1.2-builddeps.patch
# and missing links
Patch8: IQmol3-3.1.2-missinglink.patch
# Fix the desktop icon
Patch9: IQmol-3.1.4-fixdesktop.patch
# https://fedoraproject.org/wiki/Changes/EncourageI686LeafRemoval
ExcludeArch: %{ix86}
BuildRequires: armadillo-devel
BuildRequires: boost-devel
BuildRequires: gcc-c++
BuildRequires: gcc-gfortran
BuildRequires: desktop-file-utils
BuildRequires: gl2ps-devel
BuildRequires: highfive-devel
BuildRequires: libgcrypt-devel
BuildRequires: libgpg-error-devel
BuildRequires: libssh2-devel
BuildRequires: libQGLViewer-qt5-devel >= 2.9.1-1
BuildRequires: mesa-libGLU-devel
BuildRequires: mesa-libGL-devel
BuildRequires: openbabel-devel
BuildRequires: openssl-devel
BuildRequires: OpenMesh-devel
BuildRequires: QMsgBox-qt5-devel
BuildRequires: qt5-qtbase-devel
BuildRequires: yaml-cpp-devel
BuildRequires: cmake
%description
IQmol is a free open-source molecular editor and visualization
package. It offers a range of features including a molecular editor,
surface generation (orbitals and densities) and animations
(vibrational modes and reaction pathways).
%package samples
Summary: Sample structures for IQmol
BuildArch: noarch
%description samples
This package contains samples for IQmol.
%prep
%setup -q -n IQmol3-%{version}
%patch 1 -p1 -b .fragdir
%patch 4 -p1 -b .openbabel
%patch 5 -p1 -b .cmakebuild
%patch 6 -p1 -b .qmsgbox
#patch 7 -p1 -b .builddeps
%patch 8 -p1 -b .missinglink
%patch 9 -p1 -b .fixdesktop
# Get rid of bundled gl2ps
rm src/Viewer/gl2ps.{h,C}
# and of QMsgBox
rm src/Util/QMsgBox.{h,C}
# and of OpenMesh
rm -rf src/OpenMesh/
# The bundled FindOpenBabel file is wrong
\rm cmake/FindOpenBabel3.cmake
# Clean up MacOS file system junk
find . -name .DS_Store -delete
%build
# The IQmol build is based on libraries but the objects should be linked to the binary
%cmake -DBUILD_SHARED_LIBS:BOOL=OFF
%cmake_build
%install
%cmake_install
install -D -p -m 755 %{__cmake_builddir}/IQmol %{buildroot}%{_bindir}/IQmol
mkdir -p %{buildroot}%{_datadir}/IQmol
cp -pr share/* %{buildroot}%{_datadir}/IQmol/
install -D -p -m 644 resources/IQmol.png %{buildroot}%{_datadir}/pixmaps/IQmol.png
desktop-file-install --dir=%{buildroot}%{_datadir}/applications/ resources/iqmol.desktop
%files
%license LICENSE
%doc README.md
%{_datadir}/applications/iqmol.desktop
%{_datadir}/pixmaps/IQmol.png
%{_datadir}/IQmol/
%{_bindir}/IQmol
%files samples
%license LICENSE
%doc samples/*
%changelog
* Fri Oct 25 2024 Orion Poplawski <orion@nwra.com> - 3.1.5-2
- Rebuild for yaml-cpp 0.8
* Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.1.5-1
- Update to 3.1.5.
* Mon Sep 02 2024 Miroslav Suchý <msuchy@redhat.com> - 3.1.4-3
- convert license to SPDX
* Fri Jul 26 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.1.4-2
- Undo changes to desktop file silently done upstream.
* Fri Jul 26 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.1.4-1
- Update to 3.1.4.
* Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.3-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Wed May 08 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.1.3-1
- Update to 3.1.3.
* Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.2-7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.2-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Thu Jan 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.2-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Thu Jan 18 2024 Jonathan Wakely <jwakely@redhat.com> - 3.1.2-4
- Rebuilt for Boost 1.83
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.2-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Sat Apr 22 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.1.2-2
- Fix file paths for data files.
* Sat Feb 11 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.1.2-1
- Update to 3.1.2.
* Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.15.0-8
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
* Wed May 04 2022 Thomas Rodgers <trodgers@redhat.com> - 2.15.0-7
- Rebuilt for Boost 1.78
* Wed Jan 19 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.15.0-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
* Fri Aug 06 2021 Jonathan Wakely <jwakely@redhat.com> - 2.15.0-5
- Rebuilt for Boost 1.76
* Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2.15.0-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
* Mon Jan 25 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2.15.0-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
* Fri Jan 22 2021 Jonathan Wakely <jwakely@redhat.com> - 2.15.0-2
- Rebuilt for Boost 1.75
* Tue Aug 11 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.15.0-1
- Update to 2.15.0.
* Mon Jul 27 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.14.3-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
* Thu Jun 11 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.14.3-1
- Update to 2.14.3.
* Tue Jan 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.14.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
* Thu Jan 09 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.14.0-1
- Update to 2.14.0.
* Wed Jul 24 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2.13-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Wed May 15 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.13-1
- Update to 2.13.
* Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2.11.0-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Tue Jan 29 2019 Jonathan Wakely <jwakely@redhat.com> - 2.11.0-2
- Patched for Boost 1.69.0 header changes.
* Fri Jan 25 2019 Jonathan Wakely <jwakely@redhat.com> - 2.11.0-2
- Rebuilt for Boost 1.69
* Thu Sep 13 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.11.0-1
- Update to 2.11.0.
* Thu Jul 12 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2.10.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
* Wed Feb 28 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.10.0-1
- Add gcc buildrequires.
- Update to 2.10.0.
* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2.9.1-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
* Mon Jan 22 2018 Jonathan Wakely <jwakely@redhat.com> - 2.9.1-2
- Rebuilt for Boost 1.66
* Tue Sep 05 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.9.1-1
- Update to 2.9.1.
* Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.7.1-10
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.7.1-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
* Sun Jul 23 2017 Björn Esser <besser82@fedoraproject.org> - 2.7.1-8
- Rebuilt for Boost 1.64
* Tue Feb 07 2017 Kalev Lember <klember@redhat.com> - 2.7.1-7
- Rebuilt for Boost 1.63
* Sun Feb 05 2017 Kalev Lember <klember@redhat.com> - 2.7.1-6
- Rebuilt for libgfortran soname bump
* Fri Oct 14 2016 Dominik Mierzejewski <rpm@greysector.net> - 2.7.1-5
- rebuild for openbabel-2.4.1
* Sat Aug 20 2016 Susi Lehtola <susi.lehtola@iki.fi> - 2.7.1-4
- Bump for rebuild against libQGLViewer.
* Thu Mar 24 2016 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.7.1-4
- Fix linking order.
* Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 2.7.1-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
* Mon Feb 01 2016 Rex Dieter <rdieter@fedoraproject.org> - 2.7.1-2
- use %%qmake_qt5 to ensure proper build flags
* Sun Jan 31 2016 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.7.1-1
- Update to 2.7.1.
* Sun Dec 27 2015 Björn Esser <fedora@besser82.io> - 2.6.0-2
- Use %%license
* Thu Oct 29 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-1
- Update to 2.6.0.
* Sun Sep 27 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.5.1-2
- Don't mess with OpenBabel's data directories.
* Tue Sep 22 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.5.1-1.1
- Bump spec due to OpenMesh rebuild.
* Mon Sep 14 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.5.1-1
- Update to 2.5.1.
* Sun Sep 06 2015 Susi Lehtola <susi.lehtola@iki.fi> - 2.3.0-9.1
- Bump spec due to boost rebuild.
* Wed Aug 19 2015 Jonathan Wakely <jwakely@redhat.com> 2.3.0-9
- Add IQmol-2.3.0-serialization.patch to fix build with Boost 1.58.0
* Wed Jul 29 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.0-8
- Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159
* Wed Jul 22 2015 David Tardon <dtardon@redhat.com> - 2.3.0-7
- rebuild for Boost 1.58
* Tue Jun 16 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.0-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 2.3.0-5
- Rebuilt for GCC 5 C++11 ABI change
* Tue Feb 24 2015 Dominik Mierzejewski <rpm@greysector.net> - 2.3.0-4
- Rebuild for openbabel 2.90
- Fix build with gfortran-5.0 (needs to be linked with -lgfortran)
* Tue Jan 27 2015 Petr Machata <pmachata@redhat.com> - 2.3.0-3
- Rebuild for boost 1.57.0
* Wed Sep 17 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.3.0-2
- Fix default Q-Chem interface option directory.
* Fri Sep 05 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.3.0-1
- Update to 2.3.0.
* Fri Aug 15 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.2.0-10.1
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
* Wed Jul 02 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-9.1
- Rebuild due to updated QGLViewer.
* Fri Jun 06 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.2.0-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
* Fri May 23 2014 Petr Machata <pmachata@redhat.com> - 2.2.0-8
- Rebuild for boost 1.55.0
* Tue Mar 04 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-7
- Fix build against newer QGLViewer in rawhide.
* Wed Dec 18 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-6
- Review fixes.
* Mon Sep 16 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-5
- Removed bundled QsLog.
* Fri Aug 30 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-4
- Removed bundled QMsgBox.
* Thu Aug 08 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-3
- Fix build on ARM.
* Fri Jul 19 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-2
- Patch to get IQmol to build against OpenBabel 2.3.2.
* Thu Jul 18 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-1
- Update to 2.2.0.
* Fri Jul 12 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.0-1
- First release.