# Qt6 builds for testing

%bcond_with qt6

Name:           avogadro2-libs

Version:        1.98.1

Release:        %autorelease

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

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

# Set installation path of Python files

Patch0: %{name}-set_pythonpath.patch

Patch1: %{name}-1.94.0-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

# Rename LICENSE file

mv molecules/LICENSE molecules/LICENSE-molecules

%patch -P 0 -p0 -b .backup

%patch -P 1 -p0 -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

%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

%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

%license LICENSE molecules/LICENSE-molecules

%{_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

%autochangelog