Name:          avogadro
Version:       1.2.0
Release:       2mamba
Summary:       An advanced molecule editor and visualizer
Group:         Graphical Desktop/Applications/Scientific
Vendor:        openmamba
Distribution:  openmamba
Packager:      Davide Madrisan <davide.madrisan@gmail.com>
URL:           http://avogadro.cc
Source:        https://github.com/cryos/avogadro.git/%{version}/avogadro-%{version}.tar.bz2
#Source:        http://downloads.sourceforge.net/project/%{name}/%{name}/%{version}/%{name}-%{version}.tar.gz
Patch0:        avogadro-1.1.1-boost-1.5.5.patch
Patch1:        avogadro-1.2.0-eigen2.patch
Patch2:        avogadro-1.2.0-glibc-2.23.patch
Patch3:        avogadro-1.2.0-libopenbabel2.patch
Patch4:        avogadro-1.2.0-libopenbabel2-2.4.1.patch
Patch5:        avogadro-1.2.0-libmsym-add-link-library.patch
License:       GPL
## AUTOBUILDREQ-BEGIN
BuildRequires: glibc-devel
BuildRequires: libGL-devel
BuildRequires: libGLU-devel
BuildRequires: libICE-devel
BuildRequires: libSM-devel
BuildRequires: libX11-devel
BuildRequires: libXext-devel
BuildRequires: libgcc
BuildRequires: libglew-devel
BuildRequires: libpython-devel
BuildRequires: libpython27-devel
BuildRequires: libqt4-devel
BuildRequires: libstdc++6-devel
BuildRequires: libz-devel
BuildRequires: python-boost-devel
## AUTOBUILDREQ-END
BuildRequires: libopenbabel2-devel
BuildRequires: python-sip-py3
BuildRequires: libeigen2-devel
BuildRequires: eigen3-devel
Requires:      python-numpy-py3
Requires:      libavogadro = %{?epoch:%epoch:}%{version}-%{release}
BuildRoot:     %{_tmppath}/%{name}-%{version}-root

%description
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
It offers flexible high quality rendering and a powerful plugin architecture.

%package -n lib%{name}
Summary:       Runtime files for %{name}
Group:         System/Libraries

%description -n lib%{name}
%{summary}.

%package -n lib%{name}-devel
Summary:       Development files for %{name}
Group:         Development/Libraries
Requires:      %{name} = %{?epoch:%epoch:}%{version}-%{release}
Requires:      lib%{name} = %{?epoch:%epoch:}%{version}-%{release}
Provides:      avogadro-devel
Obsoletes:     avogadro-devel

%description -n lib%{name}-devel
%{summary}.


%debug_package

%prep
%setup -q
%patch0 -p1
%patch1 -p1
%patch2 -p1
%patch3 -p1
%patch4 -p1
%patch5 -p1

## use working version included in cmake
#rm -f cmake/modules/FindPythonLibs.cmake

%build
%cmake -d build \
   -DENABLE_PYTHON:BOOL=ON \
   -DPYTHON=%{__python3} \
   -DEIGEN2_INCLUDE_DIR=%{_includedir}/eigen2 \
   -DEIGEN3_INCLUDE_DIR=%{_includedir}/eigen3 \
   -Dpkgcfg_lib_OPENBABEL2_openbabel=%{_libdir}/libopenbabel-2.so \
   -DSIP_INCLUDE_DIR=%{_includedir}/python%{python3_version}

#   -DENABLE_GLSL:BOOL=ON \

#   -DPYTHON_LIBRARY:FILEPATH=%{_libdir}/libpython%{python_version}.so \
#   -DPYTHON_INCLUDE_DIR:PATH=%{_includedir}/python%{python_version} \

%make

%install
[ "%{buildroot}" != / ] && rm -rf "%{buildroot}"
%makeinstall -C build

install -d %{buildroot}%{_qt4_prefix}/mkspecs/features
mv %{buildroot}%{_prefix}/features/avogadro.prf \
   %{buildroot}%{_qt4_prefix}/mkspecs/features/avogadro.prf

%ifarch x86_64
mv %{buildroot}%{_prefix}/lib/cmake %{buildroot}%{_libdir}
mv %{buildroot}%{_prefix}/lib/libmsym.so %{buildroot}%{_libdir}
%endif

%clean
[ "%{buildroot}" != / ] && rm -rf "%{buildroot}"

%post -n lib%{name} -p /sbin/ldconfig
%postun -n lib%{name} -p /sbin/ldconfig

%files
%defattr(-,root,root)
%{_bindir}/avogadro
%{_bindir}/avopkg
%{_bindir}/qube
%{_datadir}/applications/avogadro.desktop
%dir %{_datadir}/avogadro/builder
%{_datadir}/avogadro/builder/*
%dir %{_datadir}/avogadro/crystals
%{_datadir}/avogadro/crystals/*
%dir %{_datadir}/avogadro/fragments
%{_datadir}/avogadro/fragments/*
%{_datadir}/avogadro/i18n/avogadro*.qm
%{_datadir}/pixmaps/avogadro-icon.png
%{_mandir}/man1/avogadro.*
%{_mandir}/man1/avopkg.*

%files -n lib%{name}
%defattr(-,root,root,-)
%{_datadir}/avogadro/i18n/libavogadro*.qm
#%dir %{_datadir}/libavogadro
#%{_datadir}/libavogadro/*
%{_libdir}/libavogadro.so.*
%{_libdir}/libavogadro_OpenQube.so.*
%{_libdir}/libmsym.so
%dir %{_libdir}/avogadro
%{_libdir}/avogadro/*/colors/
%{_libdir}/avogadro/*/extensions/
%{_libdir}/avogadro/*/engines/
%{_libdir}/avogadro/*/tools/
#%{python_sitearch}/Avogadro.so
%doc AUTHORS COPYING

%files -n lib%{name}-devel
%defattr(-,root,root,-)
%dir %{_includedir}/libmsym
%{_includedir}/libmsym/*.h
%dir %{_includedir}/avogadro/
%{_includedir}/avogadro/*
%{_libdir}/libavogadro.so
%{_libdir}/libavogadro_OpenQube.so
%{_libdir}/avogadro/*.cmake
%{_libdir}/avogadro/*/*.cmake
%{_libdir}/avogadro/*/cmake/
%{_libdir}/pkgconfig/avogadro.pc
%{_qt4_prefix}/mkspecs/features/avogadro.prf
%dir %{_libdir}/cmake/libmsym
%{_libdir}/cmake/libmsym/*.cmake
%doc README

%changelog
* Wed Mar 24 2021 Silvan Calarco <silvan.calarco@mambasoft.it> 1.2.0-2mamba
- rebuilt with python3

* Sat May 16 2020 Silvan Calarco <silvan.calarco@mambasoft.it> 1.2.0-1mamba
- update to 1.2.0

* Sat Jun 14 2014 Silvan Calarco <silvan.calarco@mambasoft.it> 1.1.1-1mamba
- update to 1.1.1

* Sun Dec 02 2012 Automatic Build System <autodist@mambasoft.it> 1.1.0-1mamba
- update to 1.1.0

* Tue Sep 27 2011 Davide Madrisan <davide.madrisan@gmail.com> 1.0.3-1mamba
- package created by autospec