# Use devtoolset 8 %if 0%{?rhel} && 0%{?rhel} == 7 %global dts devtoolset-8- %endif Name: avogadro2 Version: 1.94.0 Release: 2%{?dist} Summary: Advanced molecular editor License: BSD URL: http://avogadro.openmolecules.net/ Source0: https://github.com/OpenChemistry/avogadroapp/archive/%{version}/avogadroapp-%{version}.tar.gz Source1: %{name}.appdata.xml %if 0%{?rhel} BuildRequires: epel-rpm-macros %endif BuildRequires: cmake3 BuildRequires: chrpath, desktop-file-utils BuildRequires: avogadro2-libs-devel >= 0:%{version} BuildRequires: molequeue-devel, spglib-devel BuildRequires: %{?dts}gcc, %{?dts}gcc-c++, doxygen BuildRequires: eigen3-devel, hdf5-devel, glew-devel BuildRequires: qt5-qtbase-devel, qt5-qttools-devel BuildRequires: make %if 0%{?fedora} BuildRequires: libappstream-glib %endif Requires: python%{python3_pkgversion} Requires: openbabel%{?_isa} Requires: avogadro2-libs%{?_isa} >= 0:%{version} %description Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture. The code in this repository is a rewrite of Avogadro with source code split across a libraries repository and an application repository. Core features and goals of the Avogadro project: * Open source distributed under the liberal 3-clause BSD license * Cross platform with nightly builds on Linux, Mac OS X and Windows * Intuitive interface designed to be useful to whole community * Fast and efficient embracing the latest technologies * Extensible, making extensive use of a plugin architecture * Flexible supporting a range of chemical data formats and packages %prep %autosetup -n avogadroapp-%{version} %build %if 0%{?el7} %{?dts:source /opt/rh/devtoolset-8/enable} %endif export LDFLAGS="%{__global_ldflags} -Wl,--as-needed" export CFLAGS="%{optflags} -I%{_includedir}/%{name}" export CXXFLAGS="%{optflags} -I%{_includedir}/%{name}" %cmake3 -DCMAKE_BUILD_TYPE:STRING=Release \ -Wno-dev \ -DCMAKE_VERBOSE_MAKEFILE:BOOL=TRUE \ -DENABLE_RPATH:BOOL=ON \ -DENABLE_TESTING:BOOL=OFF \ -DAvogadroLibs_DIR:PATH=%{_libdir} \ -DBUILD_DOCUMENTATION:BOOL=ON %cmake_build %install %cmake_install rm -rf %{buildroot}%{_datadir}/doc chrpath -d %{buildroot}%{_bindir}/%{name} desktop-file-edit --set-key=Exec --set-value='env QT_QPA_PLATFORM=xcb LD_LIBRARY_PATH=%{_libdir}/avogadro2 %{name} %f' \ --set-key=Icon --set-value=%{_datadir}/icons/%{name}/avogadro2_128.png \ %{buildroot}%{_datadir}/applications/%{name}.desktop cp -p %{buildroot}%{_datadir}/applications/%{name}.desktop %{buildroot}%{_datadir}/applications/%{name}-x11.desktop desktop-file-edit --set-key=Exec --set-value='env LD_LIBRARY_PATH=%{_libdir}/avogadro2 %{name} %f' \ %{buildroot}%{_datadir}/applications/%{name}-x11.desktop mkdir -p %{buildroot}%{_datadir}/icons/%{name} cp -a avogadro/icons/* %{buildroot}%{_datadir}/icons/%{name}/ %if 0%{?fedora} ## Install appdata file mkdir -p %{buildroot}%{_metainfodir} install -pm 644 %{SOURCE1} %{buildroot}%{_metainfodir}/ %endif %if 0%{?rhel} %post /bin/touch --no-create %{_datadir}/icons/%{name} &>/dev/null || : %postun if [ $1 -eq 0 ] ; then /bin/touch --no-create %{_datadir}/icons/%{name} &>/dev/null /usr/bin/gtk-update-icon-cache %{_datadir}/icons/%{name} &>/dev/null || : fi %posttrans /usr/bin/gtk-update-icon-cache %{_datadir}/icons/%{name} &>/dev/null || : %endif %check %if 0%{?fedora} appstream-util validate-relax --nonet %{buildroot}%{_metainfodir}/*.appdata.xml %endif %files %doc README.md %license LICENSE %{_bindir}/%{name} %{_datadir}/applications/%{name}.desktop %{_datadir}/applications/%{name}-x11.desktop %{_metainfodir}/*.appdata.xml %{_datadir}/pixmaps/%{name}.png %{_datadir}/icons/%{name}/ %changelog * Wed Jul 21 2021 Fedora Release Engineering - 1.94.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Mon Jun 07 2021 Antonio Trande - 1.94.0-1 - Release 1.94.0 * Tue Jan 26 2021 Fedora Release Engineering - 1.93.0-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Sat Aug 01 2020 Fedora Release Engineering - 1.93.0-6 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jul 27 2020 Fedora Release Engineering - 1.93.0-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Sat Feb 29 2020 Antonio Trande - 1.93.0-4 - New rebuild * Fri Feb 28 2020 Antonio Trande - 1.93.0-3 - Add avogadro2-libs runtime dependency * Fri Feb 28 2020 Antonio Trande - 1.93.0-2 - New rebuild * Sun Feb 09 2020 Antonio Trande - 1.93.0-1 - Release 1.93.0 * Tue Jan 28 2020 Fedora Release Engineering - 1.91.0-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Wed Jan 22 2020 Antonio Trande - 1.91.0-5 - Rebuild for spglib-1.14.1 - Use devtools-8 on EPEL7 - Use CMake3 * Wed Jul 24 2019 Fedora Release Engineering - 1.91.0-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Sat Mar 16 2019 Orion Poplawski - 1.91.0-3 - Rebuild for hdf5 1.10.5 * Thu Jan 31 2019 Fedora Release Engineering - 1.91.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Fri Aug 24 2018 Antonio Trande - 1.91.0-1 - Release 1.91.0 * Thu Aug 23 2018 Nicolas Chauvet - 1.90.0-14.20180713git74e1ede - Rebuilt for glew 2.1.0 * Sun Jul 15 2018 Antonio Trande - 1.90.0-13.20180713git74e1ede - Update to commit #74e1ede * Thu Jul 12 2018 Fedora Release Engineering - 1.90.0-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Wed Feb 07 2018 Fedora Release Engineering - 1.90.0-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Wed Jan 31 2018 Antonio Trande - 1.90.0-10 - Rebuild for moloqueue-0.9.0 - Rebuild for GCC-8 * Sun Jan 07 2018 Igor Gnatenko - 1.90.0-9 - Remove obsolete scriptlets * Thu Dec 21 2017 Antonio Trande - 1.90.0-8 - Appdata file moved into metainfo data directory * Thu Dec 14 2017 Antonio Trande - 1.90.0-7 - Rebuild for spglib-1.10.2 * Fri Sep 08 2017 Antonio Trande - 1.90.0-6 - Require OpenBabel (bz#1489749) * Wed Aug 02 2017 Fedora Release Engineering - 1.90.0-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering - 1.90.0-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Thu Jun 22 2017 Antonio Trande - 1.90.0-3 - Modified for epel7 builds * Tue Apr 25 2017 Antonio Trande - 1.90.0-2 - Add appdata file * Sat Mar 11 2017 Antonio Trande - 1.90.0-1 - Initial package