diff --git a/README.md b/README.md index 5c15105..4399baa 100644 --- a/README.md +++ b/README.md @@ -1,2 +1,4 @@ # avogadrolibs +Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. + diff --git a/avogadrolibs.spec b/avogadrolibs.spec new file mode 100644 index 0000000..ae29bdd --- /dev/null +++ b/avogadrolibs.spec @@ -0,0 +1,112 @@ +Name: avogadrolibs +Version: 1.99.0 +Release: 1mamba +Summary: Libraries for computational chemistry, molecular modeling, bioinformatics, materials science, and related areas +Group: Graphical Desktop/Applications/Scientific +Vendor: openmamba +Distribution: openmamba +Packager: Silvan Calarco +URL: https://two.avogadro.cc/ +Source: https://github.com/OpenChemistry/avogadrolibs.git/%{version}/avogadrolibs-%{version}.tar.bz2 +License: BSD +## AUTOBUILDREQ-BEGIN +BuildRequires: glibc-devel +BuildRequires: libQt5Svg-devel +BuildRequires: libX11-devel +BuildRequires: libarchive-devel +BuildRequires: libfreetype-devel +BuildRequires: libgcc +BuildRequires: libglew-devel +BuildRequires: libglvnd-devel +BuildRequires: libgomp-devel +BuildRequires: libhdf5-devel +BuildRequires: libmsym-devel +BuildRequires: libpython311-devel +BuildRequires: libspglib-devel +BuildRequires: libstdc++6-devel +BuildRequires: libtbb-devel +BuildRequires: libvtk-devel +BuildRequires: pugixml-devel +BuildRequires: qt5-qtbase-devel +## AUTOBUILDREQ-END +BuildRequires: cmake +BuildRequires: libmmtf-cpp-devel +BuildRequires: libnlohmann-json-devel + +%description +Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. + +%package -n libavogadro +Group: System/Libraries +Summary: Libraries for computational chemistry, molecular modeling, bioinformatics, materials science, and related areas +Obsoletes: avogadro <= 1.2.0-2mamba + +%description -n libavogadro +Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. +This package contains shared libraries for %{name}. + +%package -n libavogadro-devel +Group: Development/Libraries +Summary: Development files for %{name} +Requires: libavogadro = %{?epoch:%epoch:}%{version}-%{release} + +%description -n libavogadro-devel +This package contains libraries and header files for developing applications that use %{name}. + +%debug_package + +%prep +%setup -q + +%build +%cmake \ + -DENABLE_TRANSLATIONS=ON \ + -DUSE_HDF5=ON \ + -DUSE_VTK=ON \ + -DUSE_PYTHON=ON \ + -DUSE_SYSTEM_GENXRDPATTERN=ON \ + -DUSE_EXTERNAL_NLOHMANN=ON \ + -DUSE_EXTERNAL_PUGIXML=ON + +%cmake_build + +%install +[ "%{buildroot}" != / ] && rm -rf "%{buildroot}" +%cmake_install + +%clean +[ "%{buildroot}" != / ] && rm -rf "%{buildroot}" + +%post -n libavogadro -p /sbin/ldconfig +%postun -n libavogadro -p /sbin/ldconfig + +%files -n libavogadro +%defattr(-,root,root) +%{_libdir}/libAvogadro*.so.* +%dir %{_libdir}/avogadro2 +%{_libdir}/avogadro2/libgwavi.a +%dir %{_libdir}/avogadro2/scripts +%{_libdir}/avogadro2/scripts/* +%dir %{_libdir}/avogadro2/staticplugins +%{_libdir}/avogadro2/staticplugins/*.a +%{_libdir}/libAvogadro*.so +%dir %{python3_sitearch}/avogadro +%{python3_sitearch}/avogadro/* +%dir %{_datadir}/avogadro2 +%{_datadir}/avogadro2/* +%doc LICENSE + +%files -n libavogadro-devel +%defattr(-,root,root) +%dir %{_includedir}/avogadro +%{_includedir}/avogadro/* +%dir %{_docdir}/AvogadroLibs +%dir %{_docdir}/AvogadroLibs/avogadrolibs +%{_docdir}/AvogadroLibs/avogadrolibs/* +%dir %{_libdir}/cmake/avogadrolibs +%{_libdir}/cmake/avogadrolibs/*.cmake +%doc README.md + +%changelog +* Sat May 04 2024 Silvan Calarco 1.99.0-1mamba +- package created using the webbuild interface