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File octopus.spec of Package octopus

%global debug_package %{nil}

Name: 		octopus
Summary:	A TDDFT code
Version:	5.0.1
Release:	1
License:	GPLv2+
Group:		Applications/Engineering
Source:		http://www.tddft.org/programs/octopus/download/%{name}-%{version}.tar.gz
URL:		http://www.tddft.org/programs/octopus
BuildRequires:	blas-devel
BuildRequires:	fftw-devel
BuildRequires:	fontconfig-devel
BuildRequires:	freetype-devel
BuildRequires:	gcc-gfortran
BuildRequires:	gd-devel
BuildRequires:	gsl-devel
BuildRequires:	lapack-devel
BuildRequires:	libjpeg-devel
BuildRequires:	libpng-devel
BuildRequires:	libX11-devel
BuildRequires:	libXpm-devel
BuildRequires:	netcdf-devel
BuildRequires:	perl
BuildRequires:	zlib-devel
BuildRequires:  libxc-devel
BuildRequires:  mpich-devel
BuildRequires:  environment-modules
#BuildRequires:	openmpi-devel

%description
Octopus is a scientific program aimed at the ab initio virtual 
experimentation on a hopefully ever increasing range of systems 
types. Electrons are described quantum-mechanically within 
Density-Functional Theory (DFT), in its time-dependent form 
(TDDFT) when doing simulations in time. Nuclei are described
classically as point particles. Electron-nucleus interaction
is described within the Pseudopotential approximation.

%package devel
Summary:	Octopus development headers & libraries
License:        GPLv2+
Group:          Applications/Engineering
Requires:	%{name} = %{version}-%{release}
Provides:	%{name}-static = %{version}-%{release}

%description devel
This package contains the development headers for Octopus.

%prep
%setup -q

%build
./configure FCCPP="/lib/cpp -std=gnu++11 -xc++" FCFLAGS_LIBXC="-I/usr/include -I%{_libdir}/gfortran/modules" \
%ifarch x86_64
		CFLAGS=-msse4.1 \
%endif
		--host=%{_host} --build=%{_build} \
        --target=%{_target_platform} \
        --program-prefix=%{?_program_prefix} \
        --prefix=%{_prefix} \
        --exec-prefix=%{_exec_prefix} \
        --bindir=%{_bindir} \
        --sbindir=%{_sbindir} \
        --sysconfdir=%{_sysconfdir} \
        --datadir=%{_datadir} \
        --includedir=%{_includedir} \
        --libdir=%{_libdir} \
        --libexecdir=%{_libexecdir} \
        --localstatedir=%{_localstatedir} \
        --sharedstatedir=%{_sharedstatedir} \
        --mandir=%{_mandir} \
        --infodir=%{_infodir} --disable-static
make %{?_smp_mflags}

%install
rm -rf %{buildroot}
make install DESTDIR=%{buildroot}

%clean
rm -rf ${RPM_BUILD_ROOT}

%post
install-info %{_infodir}/octopus.info &> /dev/null

%preun
install-info --remove octopus &> /dev/null

%files
%doc README COPYING AUTHORS
%{_bindir}/*
%{_libdir}/*
%exclude %{_libdir}/*.a
%{_datadir}/octopus
%{_mandir}/man1/*

%files devel
%{_includedir}/*
%{_libdir}/*.a

%changelog
* Tue May 31 2016 Huaren Zhong <huaren.zhong@gmail.com> 5.0.1
- Rebuild for Fedora
* Mon Sep 29 2008 Jussi Lehtola - 3.0.1-4
- Devel provides -static.
- Change defattrs to (-,root,root,-).
* Mon Sep 29 2008 Jussi Lehtola - 3.0.1-3
- Branch headers and .a files to -devel.
- Branch MPI binaries to MPI package.
- Add gcc-gfortran >= 4.3 to build reqs.
* Mon Sep 29 2008 Jussi Lehtola - 3.0.1-2
- Implement out-of-tree builds.
- Add smpflags to make.
* Sun Sep 28 2008 Jussi Lehtola - 3.0.1-1
- Initial release

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File octopus.spec of Package octopus

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