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 - 3.1.5-2 - Rebuild for yaml-cpp 0.8 * Sat Oct 12 2024 Susi Lehtola - 3.1.5-1 - Update to 3.1.5. * Mon Sep 02 2024 Miroslav Suchý - 3.1.4-3 - convert license to SPDX * Fri Jul 26 2024 Susi Lehtola - 3.1.4-2 - Undo changes to desktop file silently done upstream. * Fri Jul 26 2024 Susi Lehtola - 3.1.4-1 - Update to 3.1.4. * Wed Jul 17 2024 Fedora Release Engineering - 3.1.3-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Wed May 08 2024 Susi Lehtola - 3.1.3-1 - Update to 3.1.3. * Mon Jan 22 2024 Fedora Release Engineering - 3.1.2-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering - 3.1.2-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Thu Jan 18 2024 Fedora Release Engineering - 3.1.2-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Thu Jan 18 2024 Jonathan Wakely - 3.1.2-4 - Rebuilt for Boost 1.83 * Wed Jul 19 2023 Fedora Release Engineering - 3.1.2-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Sat Apr 22 2023 Susi Lehtola - 3.1.2-2 - Fix file paths for data files. * Sat Feb 11 2023 Susi Lehtola - 3.1.2-1 - Update to 3.1.2. * Wed Jul 20 2022 Fedora Release Engineering - 2.15.0-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Wed May 04 2022 Thomas Rodgers - 2.15.0-7 - Rebuilt for Boost 1.78 * Wed Jan 19 2022 Fedora Release Engineering - 2.15.0-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Fri Aug 06 2021 Jonathan Wakely - 2.15.0-5 - Rebuilt for Boost 1.76 * Wed Jul 21 2021 Fedora Release Engineering - 2.15.0-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Mon Jan 25 2021 Fedora Release Engineering - 2.15.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Fri Jan 22 2021 Jonathan Wakely - 2.15.0-2 - Rebuilt for Boost 1.75 * Tue Aug 11 2020 Susi Lehtola - 2.15.0-1 - Update to 2.15.0. * Mon Jul 27 2020 Fedora Release Engineering - 2.14.3-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Thu Jun 11 2020 Susi Lehtola - 2.14.3-1 - Update to 2.14.3. * Tue Jan 28 2020 Fedora Release Engineering - 2.14.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Thu Jan 09 2020 Susi Lehtola - 2.14.0-1 - Update to 2.14.0. * Wed Jul 24 2019 Fedora Release Engineering - 2.13-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Wed May 15 2019 Susi Lehtola - 2.13-1 - Update to 2.13. * Thu Jan 31 2019 Fedora Release Engineering - 2.11.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Tue Jan 29 2019 Jonathan Wakely - 2.11.0-2 - Patched for Boost 1.69.0 header changes. * Fri Jan 25 2019 Jonathan Wakely - 2.11.0-2 - Rebuilt for Boost 1.69 * Thu Sep 13 2018 Susi Lehtola - 2.11.0-1 - Update to 2.11.0. * Thu Jul 12 2018 Fedora Release Engineering - 2.10.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Wed Feb 28 2018 Susi Lehtola - 2.10.0-1 - Add gcc buildrequires. - Update to 2.10.0. * Wed Feb 07 2018 Fedora Release Engineering - 2.9.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Mon Jan 22 2018 Jonathan Wakely - 2.9.1-2 - Rebuilt for Boost 1.66 * Tue Sep 05 2017 Susi Lehtola - 2.9.1-1 - Update to 2.9.1. * Wed Aug 02 2017 Fedora Release Engineering - 2.7.1-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering - 2.7.1-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Sun Jul 23 2017 Björn Esser - 2.7.1-8 - Rebuilt for Boost 1.64 * Tue Feb 07 2017 Kalev Lember - 2.7.1-7 - Rebuilt for Boost 1.63 * Sun Feb 05 2017 Kalev Lember - 2.7.1-6 - Rebuilt for libgfortran soname bump * Fri Oct 14 2016 Dominik Mierzejewski - 2.7.1-5 - rebuild for openbabel-2.4.1 * Sat Aug 20 2016 Susi Lehtola - 2.7.1-4 - Bump for rebuild against libQGLViewer. * Thu Mar 24 2016 Susi Lehtola - 2.7.1-4 - Fix linking order. * Wed Feb 03 2016 Fedora Release Engineering - 2.7.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild * Mon Feb 01 2016 Rex Dieter - 2.7.1-2 - use %%qmake_qt5 to ensure proper build flags * Sun Jan 31 2016 Susi Lehtola - 2.7.1-1 - Update to 2.7.1. * Sun Dec 27 2015 Björn Esser - 2.6.0-2 - Use %%license * Thu Oct 29 2015 Susi Lehtola - 2.6.0-1 - Update to 2.6.0. * Sun Sep 27 2015 Susi Lehtola - 2.5.1-2 - Don't mess with OpenBabel's data directories. * Tue Sep 22 2015 Susi Lehtola - 2.5.1-1.1 - Bump spec due to OpenMesh rebuild. * Mon Sep 14 2015 Susi Lehtola - 2.5.1-1 - Update to 2.5.1. * Sun Sep 06 2015 Susi Lehtola - 2.3.0-9.1 - Bump spec due to boost rebuild. * Wed Aug 19 2015 Jonathan Wakely 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 - 2.3.0-8 - Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159 * Wed Jul 22 2015 David Tardon - 2.3.0-7 - rebuild for Boost 1.58 * Tue Jun 16 2015 Fedora Release Engineering - 2.3.0-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Sat May 02 2015 Kalev Lember - 2.3.0-5 - Rebuilt for GCC 5 C++11 ABI change * Tue Feb 24 2015 Dominik Mierzejewski - 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 - 2.3.0-3 - Rebuild for boost 1.57.0 * Wed Sep 17 2014 Susi Lehtola - 2.3.0-2 - Fix default Q-Chem interface option directory. * Fri Sep 05 2014 Susi Lehtola - 2.3.0-1 - Update to 2.3.0. * Fri Aug 15 2014 Fedora Release Engineering - 2.2.0-10.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild * Wed Jul 02 2014 Susi Lehtola - 2.2.0-9.1 - Rebuild due to updated QGLViewer. * Fri Jun 06 2014 Fedora Release Engineering - 2.2.0-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild * Fri May 23 2014 Petr Machata - 2.2.0-8 - Rebuild for boost 1.55.0 * Tue Mar 04 2014 Susi Lehtola - 2.2.0-7 - Fix build against newer QGLViewer in rawhide. * Wed Dec 18 2013 Susi Lehtola - 2.2.0-6 - Review fixes. * Mon Sep 16 2013 Susi Lehtola - 2.2.0-5 - Removed bundled QsLog. * Fri Aug 30 2013 Susi Lehtola - 2.2.0-4 - Removed bundled QMsgBox. * Thu Aug 08 2013 Susi Lehtola - 2.2.0-3 - Fix build on ARM. * Fri Jul 19 2013 Susi Lehtola - 2.2.0-2 - Patch to get IQmol to build against OpenBabel 2.3.2. * Thu Jul 18 2013 Susi Lehtola - 2.2.0-1 - Update to 2.2.0. * Fri Jul 12 2013 Susi Lehtola - 2.1.0-1 - First release.