## This release does not compile because of current unsupported GCC version (4.8.5) on rhel7 ## during compilation of bundled 'jsoncpp'. ## Error "unsupported GCC version - see https://github.com/nlohmann/json#supported-compilers" # Use devtoolset 8 %if 0%{?rhel} && 0%{?rhel} == 7 %global dts devtoolset-8- %endif Name: avogadro2-libs Version: 1.93.1 Release: 1%{?dist} Summary: Avogadro2 libraries # BSD is main license # BSD is the license of avogenerators scripts License: BSD and MIT URL: http://avogadro.openmolecules.net/ Source0: https://github.com/OpenChemistry/avogadrolibs/archive/%{version}/avogadrolibs-%{version}.tar.gz # External source code for avogadrolibs >= 1.91.0 # See https://github.com/OpenChemistry/avogadrolibs/issues/362 %global commit 84443126ba5529fc134068047c206f0b3b7b823b %global shortcommit %(c=%{commit}; echo ${c:0:7}) Source1: https://github.com/OpenChemistry/avogenerators/archive/%{commit}/avogenerators-%{commit}.tar.gz # Set installation path of Python files Patch0: %{name}-set_pythonpath.patch BuildRequires: boost-devel BuildRequires: python%{python3_pkgversion}-devel %if 0%{?fedora} BuildRequires: boost-python3-devel %endif %if 0%{?rhel} BuildRequires: epel-rpm-macros %endif BuildRequires: cmake3 BuildRequires: chrpath BuildRequires: %{?dts}gcc BuildRequires: %{?dts}gcc-c++ BuildRequires: make BuildRequires: pkgconfig(eigen3) BuildRequires: pkgconfig(glew) BuildRequires: pkgconfig(openbabel-2.0) BuildRequires: mesa-libGLU-devel BuildRequires: hdf5-devel BuildRequires: mmtf-cpp-devel, jsoncpp-devel BuildRequires: spglib-devel, molequeue-devel BuildRequires: qt5-qtbase-devel, qt5-qttools-devel BuildRequires: libarchive-devel >= 3.4.0 Obsoletes: %{name} < %{version}-%{release} Provides: %{name}%{?_isa} = 0:%{version}-%{release} Provides: %{name}-static = 0:%{version}-%{release} %{?python_provide:%python_provide python%{python3_pkgversion}-%{name}} %description Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. %package devel Summary: Development files of %{name} Requires: qt5-qtbase-devel%{?_isa} Requires: glew-devel%{?_isa} Requires: libGL-devel%{?_isa} Requires: mesa-libGLU-devel%{?_isa} Requires: spglib-devel%{?_isa} Requires: %{name}%{?_isa} = %{version}-%{release} Provides: libgwavi-static %description devel This package contains libraries and header files for developing applications that use %{name}. %package doc Summary: HTML documentation of %{name} BuildArch: noarch BuildRequires: doxygen, graphviz BuildRequires: make %description doc HTML documentation of %{name}. %prep %autosetup -a 1 -N -n avogadrolibs-%{version} %autopatch -p0 # Make avogadro generators source code available for CMake mv avogenerators-%{commit} avogadrogenerators mv avogadrogenerators/README.md avogadrogenerators/README-avogenerators.md sed -e 's|../avogadrogenerators|avogadrogenerators|g' -i avogadro/qtplugins/quantuminput/CMakeLists.txt # mv thirdparty/libgwavi/README.md thirdparty/libgwavi/README-libgwavi.md %build %if 0%{?el7} %{?dts:source /opt/rh/devtoolset-8/enable} %endif %cmake3 -DCMAKE_BUILD_TYPE:STRING=Release \ -DINSTALL_INCLUDE_DIR:PATH=include/avogadro2 -DINSTALL_LIBRARY_DIR:PATH=%{_lib} \ -Wno-dev \ -DENABLE_GLSL:BOOL=ON \ -DENABLE_PYTHON:BOOL=ON \ -DPYTHON_EXECUTABLE:FILEPATH=%{__python3} \ -DPYTHON_VERSION:STRING=%{python3_version} \ %if 0%{?fedora} -DUSE_BOOST_PYTHON:BOOL=ON \ %else -DUSE_BOOST_PYTHON:BOOL=OFF \ %endif -DENABLE_RPATH:BOOL=OFF \ -DENABLE_TESTING:BOOL=OFF \ -DUSE_MMTF:BOOL=ON \ -DUSE_QT:BOOL=ON \ -DUSE_MOLEQUEUE:BOOL=ON \ -DUSE_VTK:BOOL=OFF \ -DUSE_HDF5:BOOL=ON \ -DUSE_SPGLIB:BOOL=ON \ -DSPGLIB_LIBRARY:FILEPATH=%{_libdir}/libsymspg.so \ -DBUILD_GPL_PLUGINS:BOOL=ON \ -DBUILD_STATIC_PLUGINS:BOOL=ON \ -DBUILD_DOCUMENTATION:BOOL=ON \ -DUSE_LIBMSYM:BOOL=OFF \ -DUSE_SYSTEM_LIBARCHIVE:BOOL=ON .. %cmake3_build pushd %{_target_platform}/docs doxygen popd %install %cmake3_install # Move scale.py* files into %%{python3_sitearch}/avogadro2 cp -a %{buildroot}%{_libdir}/avogadro2/scripts %{buildroot}%{python3_sitearch}/avogadro2/ pathfix.py -pn -i "%{__python3}" %{buildroot}%{python3_sitearch}/avogadro2/scripts/*/*.py ln -sf %{python3_sitearch}/avogadro2/scripts %{buildroot}%{_libdir}/avogadro2/scripts chrpath -d %{buildroot}%{_libdir}/lib*.so rm -rf %{buildroot}%{_datadir}/doc %ldconfig_scriptlets %files %doc README.md thirdparty/libgwavi/README-libgwavi.md avogadrogenerators/README-avogenerators.md %license LICENSE %{_libdir}/lib*.so.* %dir %{_libdir}/avogadro2 %{_libdir}/avogadro2/scripts %exclude %{_libdir}/avogadro2/libgwavi.a %exclude %{_libdir}/avogadro2/staticplugins %{python3_sitearch}/avogadro2/ %files devel %{_includedir}/avogadro2/ %{_libdir}/lib*.so %{_libdir}/avogadro2/libgwavi.a %{_libdir}/avogadro2/staticplugins/ %{_libdir}/cmake/avogadrolibs/ %files doc %doc README.md %{_target_platform}/docs/html %license LICENSE %changelog * Mon May 03 2021 Antonio Trande - 1.93.1-1 - Release 1.93.1 - Remove obsolete patches * Tue Jan 26 2021 Fedora Release Engineering - 1.93.0-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Sat Aug 01 2020 Fedora Release Engineering - 1.93.0-7 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jul 27 2020 Fedora Release Engineering - 1.93.0-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Fri Jun 26 2020 Orion Poplawski - 1.93.0-5 - Rebuild for hdf5 1.10.6 * Tue May 26 2020 Miro Hrončok - 1.93.0-4 - Rebuilt for Python 3.9 * Sat Feb 29 2020 Antonio Trande - 1.93.0-3 - Reorganize scripts directory * Fri Feb 28 2020 Antonio Trande - 1.93.0-2 - Set USE_SYSTEM_LIBARCHIVE CMake option - Set libarchive's minimal version for building - Explicit Obsoletes tag * Thu Feb 06 2020 Antonio Trande - 1.93.0-1 - Release 1.93.0 * Tue Jan 28 2020 Fedora Release Engineering - 1.92.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Tue Jan 21 2020 Antonio Trande - 1.92.1-1 - Release 1.92.1 - Rebuild for spglib-1.14.1 - Use devtools-8 on EPEL7 - Use CMake3 * Thu Oct 03 2019 Miro Hrončok - 1.91.0-6 - Rebuilt for Python 3.8.0rc1 (#1748018) * Mon Aug 19 2019 Miro Hrončok - 1.91.0-5 - Rebuilt for Python 3.8 * 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 * Thu Aug 23 2018 Antonio Trande - 1.91.0-1 - Release 1.91.0 - Include 'avogenerators' source code * Thu Aug 23 2018 Nicolas Chauvet - 1.91.0-0.3.20180612gitda6ebb9 - Rebuilt for glew-2.1.0 * Thu Jul 12 2018 Fedora Release Engineering - 1.91.0-0.2.20180612gitda6ebb9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Fri Jun 22 2018 Antonio Trande - 1.91.0-0.1.20180612gitda6ebb9 - Update to commit #da6ebb9 (1.91.0 pre-release) * Tue Jun 19 2018 Miro Hrončok - 1.90.0-16 - Rebuilt for Python 3.7 * Tue Feb 13 2018 Antonio Trande - 1.90.0-15 - Add explicit dependencies to -devel sub-package (bz#1544510) * Tue Feb 13 2018 Antonio Trande - 1.90.0-14 - Fix AvogadroLibsConfig.cmake relative paths (bz#1544510) * Wed Feb 07 2018 Fedora Release Engineering - 1.90.0-13 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Wed Jan 31 2018 Antonio Trande - 1.90.0-12 - Rebuild for moloqueue-0.9.0 - Use %%ldconfig_scriptlets * Thu Dec 14 2017 Antonio Trande - 1.90.0-11 - Rebuild for spglib-1.10.2 * Sun Aug 06 2017 Björn Esser - 1.90.0-10 - Rebuilt for AutoReq cmake-filesystem * Wed Aug 02 2017 Fedora Release Engineering - 1.90.0-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering - 1.90.0-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Thu Jun 22 2017 Antonio Trande - 1.90.0-7 - Modified for epel builds * Mon May 15 2017 Fedora Release Engineering - 1.90.0-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild * Mon Mar 13 2017 Antonio Trande - 1.90.0-5 - Add ld scriptlets * Sun Mar 12 2017 Antonio Trande - 1.90.0-4 - Set python3 installation directory * Sun Mar 12 2017 Antonio Trande - 1.90.0-3 - Move jsoncpp.a into the private lib directory * Sat Mar 11 2017 Antonio Trande - 1.90.0-2 - Use default paths * Sat Mar 11 2017 Antonio Trande - 1.90.0-1 - Initial package