## START: Set by rpmautospec ## (rpmautospec version 0.6.0) ## RPMAUTOSPEC: autorelease, autochangelog %define autorelease(e:s:pb:n) %{?-p:0.}%{lua: release_number = 2; base_release_number = tonumber(rpm.expand("%{?-b*}%{!?-b:1}")); print(release_number + base_release_number - 1); }%{?-e:.%{-e*}}%{?-s:.%{-s*}}%{!?-n:%{?dist}} ## END: Set by rpmautospec # Qt6 builds for testing %bcond_with qt6 Name: avogadro2-libs Version: 1.99.0 Release: %autorelease Summary: Avogadro2 libraries # BSD is main license License: BSD-3-Clause AND (ASL-2.0 AND MIT) AND CDDL-1.0 URL: http://avogadro.openmolecules.net/ Source0: https://github.com/OpenChemistry/avogadrolibs/archive/%{version}/avogadrolibs-%{version}.tar.gz Source1: https://github.com/OpenChemistry/avogenerators/archive/1.98.0/avogenerators-1.98.0.tar.gz # External sources for data files Source2: https://github.com/OpenChemistry/molecules/archive/refs/tags/1.98.0/molecules-1.98.0.tar.gz Source3: https://github.com/OpenChemistry/crystals/archive/refs/tags/1.98.0/crystals-1.98.0.tar.gz Source4: https://github.com/OpenChemistry/fragments/archive/refs/tags/1.99.0/fragments-%{version}.tar.gz # Set installation path of Python files Patch0: %{name}-set_pythonpath.patch Patch1: %{name}-%{version}-do_not_download_external_files.patch Patch2: %{name}-1.98.1-use_upstream_cmake_config.patch BuildRequires: boost-devel BuildRequires: python%{python3_pkgversion}-devel %if 0%{?rhel} BuildRequires: epel-rpm-macros %endif BuildRequires: cmake3 BuildRequires: chrpath BuildRequires: gcc BuildRequires: gcc-c++ BuildRequires: make BuildRequires: pkgconfig(eigen3) BuildRequires: pkgconfig(glew) BuildRequires: pkgconfig(openbabel-3) BuildRequires: mesa-libGLU-devel BuildRequires: hdf5-devel BuildRequires: mmtf-cpp-devel, jsoncpp-devel BuildRequires: spglib-devel %if %{with qt6} BuildRequires: qt6-qtbase-devel BuildRequires: qt6-qttools-devel BuildRequires: qt6-qtsvg-devel %else BuildRequires: qt5-qtbase-devel BuildRequires: qt5-qttools-devel BuildRequires: qt5-qtsvg-devel %endif %if 0%{?fedora} BuildRequires: libarchive-devel >= 3.4.0 %endif 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} %if %{with qt6} Requires: qt6-qtbase-devel%{?_isa} %else Requires: qt5-qtbase-devel%{?_isa} %endif 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} tar -xf %{SOURCE2} && mv molecules-1.98.0 molecules tar -xf %{SOURCE3} && mv crystals-1.98.0 crystals tar -xf %{SOURCE4} && mv fragments-1.99.0 fragments # Rename LICENSE file mv molecules/LICENSE molecules/LICENSE-molecules mv fragments/LICENSE fragments/LICENSE-fragments %patch -P 0 -p0 -b .backup %patch -P 1 -p1 -b .backup %patch -P 2 -p1 -b .backup # Make avogadro generators source code available for CMake mv avogenerators-1.98.0 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 mv fragments/README.md fragments/README-fragments.md %build mkdir -p build export CXXFLAGS="%{optflags} -DH5_USE_110_API" # RHBZ #1996330 %ifarch %{power64} export CXXFLAGS="%{optflags} -DEIGEN_ALTIVEC_DISABLE_MMA" %endif %cmake3 -B build -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 \ -DUSE_LIBARCHIVE:BOOL=ON \ %else -DUSE_BOOST_PYTHON:BOOL=OFF \ -DUSE_LIBARCHIVE: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 \ -DBUILD_GPL_PLUGINS:BOOL=ON \ -DBUILD_STATIC_PLUGINS:BOOL=ON \ -DBUILD_DOCUMENTATION:BOOL=ON \ -DUSE_LIBMSYM:BOOL=OFF \ -DOpenBabel3_INCLUDE_DIR:PATH=%{_includedir}/openbabel3 %make_build -C build pushd build/docs doxygen popd %install %make_install -C build # Move scale.py* files into %%{python3_sitearch}/avogadro2 cp -a %{buildroot}%{_libdir}/avogadro2/scripts %{buildroot}%{python3_sitearch}/avogadro2/ %{__python3} %{_rpmconfigdir}/redhat/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 %files %doc README.md thirdparty/libgwavi/README-libgwavi.md avogadrogenerators/README-avogenerators.md %doc fragments/README-fragments.md %license LICENSE molecules/LICENSE-molecules fragments/LICENSE-fragments %{_libdir}/libAvogadro*.so.1 %{_libdir}/libAvogadro*.so.%{version} %dir %{_libdir}/avogadro2 %{_libdir}/avogadro2/scripts/ %{_libdir}/avogadro2/libgwavi.a %{_libdir}/avogadro2/staticplugins/ %{python3_sitearch}/avogadro2/ %{_datadir}/avogadro2/ %files devel %{_includedir}/avogadro2/ %{_libdir}/libAvogadro*.so %{_libdir}/cmake/avogadrolibs/ %files doc %doc README.md build/docs/html %license LICENSE %changelog ## START: Generated by rpmautospec * Mon Oct 21 2024 Miroslav Suchý - 1.99.0-2 - Correct SPDX license formula * Sun Jul 21 2024 Antonio Trande - 1.99.0-1 - Release 1.99.0| Add fragments files * Wed Jul 17 2024 Fedora Release Engineering - 1.98.1-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Sat Jun 08 2024 Python Maint - 1.98.1-5 - Rebuilt for Python 3.13 * Thu Jan 25 2024 Cristian Le - 1.98.1-4 - Remove custom Find.cmake usage * Mon Jan 22 2024 Fedora Release Engineering - 1.98.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering - 1.98.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sat Nov 04 2023 Antonio Trande - 1.98.1-1 - Release 1.98.1 * Wed Nov 01 2023 Antonio Trande - 1.98.0-1 - Release 1.98.0 * Tue Sep 19 2023 Antonio Trande - 1.97.0-10 - Fix Patch commands * Tue Sep 19 2023 Antonio Trande - 1.97.0-9 - Rebuild for spglib-2.1.0 ## END: Generated by rpmautospec