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File avogadrolibs.spec of Package avogadrolibs
# # spec file for package avogadrolibs # # Copyright (c) 2022 SUSE LLC # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed # upon. The license for this file, and modifications and additions to the # file, is the same license as for the pristine package itself (unless the # license for the pristine package is not an Open Source License, in which # case the license is the MIT License). An "Open Source License" is a # license that conforms to the Open Source Definition (Version 1.9) # published by the Open Source Initiative. # Please submit bugfixes or comments via https://bugs.opensuse.org/ # %if 0%{suse_version} >= 1550 %bcond_without spglib %bcond_without python %else %bcond_with spglib %bcond_with python %endif # Requires genXrdPattern %bcond_with vtk %define sonum 1 %define libname libAvogadro%{sonum} %define molecules_rev 1.98.0 %define crystals_rev 1.98.0 Name: avogadrolibs Version: 1.98.1 Release: 0 Summary: Avogadro libraries for computational chemistry License: BSD-3-Clause AND CDDL-1.0 AND GPL-3.0-or-later AND Apache-2.0 URL: https://two.avogadro.cc/ Source0: https://github.com/OpenChemistry/avogadrolibs/archive/%{version}.tar.gz#/%{name}-%{version}.tar.gz Source1: https://github.com/OpenChemistry/molecules/archive/%{molecules_rev}.tar.gz#/molecules-%{molecules_rev}.tar.gz Source2: https://github.com/OpenChemistry/crystals/archive/%{crystals_rev}.tar.gz#/crystals-%{crystals_rev}.tar.gz # PATCH-FIX-UPSTREAM not-install-gwavi.patch -- Library only used locally so no need to install this helper Patch0: not-install-gwavi.patch BuildRequires: cmake >= 3.24 BuildRequires: eigen3-devel >= 2.91.0 BuildRequires: fdupes BuildRequires: gcc-c++ BuildRequires: hdf5-devel BuildRequires: libqt5-linguist-devel BuildRequires: mmtf-cpp-devel BuildRequires: cmake(Qt5Concurrent) BuildRequires: cmake(Qt5Network) BuildRequires: cmake(Qt5Svg) BuildRequires: cmake(Qt5Widgets) BuildRequires: cmake(libmsym) >= 0.2.0 BuildRequires: pkgconfig(gl) BuildRequires: pkgconfig(glew) BuildRequires: pkgconfig(libarchive) BuildRequires: pkgconfig(zlib) %if %{with python} BuildRequires: python3-devel BuildRequires: python3-pybind11-devel %endif %if %{with spglib} BuildRequires: spglib-devel %endif %if 0%{?suse_version} <= 1500 BuildRequires: pkgconfig(glu) %endif %if %{with vtk} BuildRequires: genXrdPattern BuildRequires: cmake(vtk) %endif %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 %{libname} Summary: Avogadro libraries for computational chemistry Recommends: avogadro2-data >= %{version} Recommends: %{name}-plugins >= %{version} %description -n %{libname} Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. %package plugins Summary: Plugins for Avogadro2libs %description plugins This package contains the vendor provided plugins for Avogadro2 %package -n avogadro2-data Summary: Data files for Avogadro2 and Avogadro2libs BuildArch: noarch %description -n avogadro2-data This package contains: * Crystallographic files of common materials, elements, oxides, for visualization in Avogadro. * Common molecule fragments for visualization in Avogadro %package devel Summary: Header files for Avogadro libraries Requires: %{libname} = %{version} Requires: %{name}-plugins = %{version} Requires: cmake(MoleQueue) Requires: cmake(Qt5Network) Requires: cmake(Qt5Widgets) Requires: pkgconfig(gl) Requires: pkgconfig(glew) %if 0%{?suse_version} <= 1500 Requires: pkgconfig(glu) %endif %description devel Header files for Avogadro libraries. %if %{with python} %package -n python3-avogadro Summary: Python bindings for Avogadro libraries %description -n python3-avogadro Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. %endif %prep %setup -q -b 1 -b 2 %autopatch -p1 [ -e ../crystals ] && rm -rfv ../crystals; mv ../crystals-%{crystals_rev} ../crystals [ -e ../molecules ] && rm -rfv ../molecules; mv ../molecules-%{molecules_rev} ../molecules %ifarch aarch64 %{arm} # Workaround for Qt GLES builds on ARM, until overlayaxes fixed upstream - https://github.com/OpenChemistry/avogadrolibs/issues/810 # Type of function prototypes differ between GLEW and GLES sed -i 's/add_subdirectory(overlayaxes)//' avogadro/qtplugins/CMakeLists.txt %endif %build %cmake \ -DINSTALL_DOC_DIR:PATH=%{_defaultdocdir} \ -DBUILD_STATIC_PLUGINS:BOOL=OFF \ -DENABLE_TRANSLATIONS:BOOL=ON \ -DUSE_MOLEQUEUE:BOOL=ON \ -DUSE_LIBMSYM:BOOL=ON \ -DUSE_MMTF:BOOL=ON \ -DUSE_HDF5:BOOL=ON \ -DUSE_QT:BOOL=ON \ -DUSE_VTK:BOOL=%{?with_vtk:ON}%{!?with_vtk:OFF} \ -DUSE_PYTHON:BOOL=%{?with_python:ON}%{!?with_python:OFF} \ -DUSE_SPGLIB:BOOL=%{?with_spglib:ON}%{!?with_spglib:OFF} \ -DOpenGL_GL_PREFERENCE=GLVND \ %{nil} %cmake_build %install %cmake_install rm %{buildroot}%{_defaultdocdir}/avogadrolibs/LICENSE %fdupes %{buildroot}%{_datadir} sed -i -e '1 s@^@#!/usr/bin/python3\n@' \ %{buildroot}%{_libdir}/avogadro2/scripts/charges/*.py \ %{buildroot}%{_libdir}/avogadro2/scripts/formatScripts/zyx.py # Remove exec permissions from scripts not in $$PATH chmod -x %{buildroot}%{_libdir}/avogadro2/scripts/energy/*.py %post -n %{libname} -p /sbin/ldconfig %postun -n %{libname} -p /sbin/ldconfig %files -n %{libname} %license LICENSE %{_libdir}/libAvogadro*.so.%{sonum}* %files plugins %dir %{_libdir}/avogadro2 %{_libdir}/avogadro2/{plugins,scripts} %files devel %dir %{_defaultdocdir}/avogadrolibs %doc %{_defaultdocdir}/avogadrolibs/*.md %{_includedir}/avogadro/ %{_libdir}/libAvogadro*.so %{_libdir}/cmake/* %files -n avogadro2-data %dir %{_datadir}/avogadro2 %{_datadir}/avogadro2/crystals %{_datadir}/avogadro2/molecules %if %{with python} %files -n python3-avogadro %{python3_sitearch}/avogadro %endif %changelog
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