# Possibility to build without single precision enabled
%bcond_without single
%if 0%{?rhel} == 5
%global _fmoddir %{_libdir}/gfortran/modules
%endif
Name: libxc
Summary: Library of exchange and correlation functionals to be used in DFT codes
Version: 2.1.0
Release: 1%{?dist}
License: LGPLv3+
Group: Applications/Engineering
BuildRoot: %{_tmppath}/%{name}-%{version}-buildroot
Source0: http://www.tddft.org/programs/octopus/down.php?file=libxc/libxc-%{version}.tar.gz
URL: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
BuildRequires: gcc-gfortran
%description
libxc is a library of exchange and correlation functionals. Its purpose is to
be used in codes that implement density-functional theory. For the moment, the
library includes most of the local density approximations (LDAs), generalized
density approximation (GGAs), and meta-GGAs. The library provides values for
the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives.
%package devel
Summary: Development library and headers for libxc
Group: Development/Libraries
Requires: %{name}%{?_isa} = %{version}-%{release}
Requires: pkgconfig
%if 0%{?fedora} >11 || 0%{?rhel} > 5
# Old versions don't have the 32-bit gfortran compiler, and the Fortran part
# of the multilib'd devel package won't work in any case since Fortran modules
# are architecture and compiler version dependent.
Requires: gcc-gfortran%{?_isa}
%endif
%description devel
libxc is a library of exchange and correlation functionals. Its purpose is to
be used in codes that implement density-functional theory. For the moment, the
library includes most of the local density approximations (LDAs), generalized
density approximation (GGAs), and meta-GGAs. The library provides values for
the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives.
This package contains the development headers and library that are necessary
in order to compile programs against libxc.
%prep
%setup -q
%build
# Don't insert C code during preprocessing
export FCCPP="cpp -ffreestanding"
%if %{with single}
%configure --enable-shared --disable-static --enable-single
%else
%configure --enable-shared --disable-static
%endif
make %{?_smp_mflags}
%install
rm -rf %{buildroot}
make install DESTDIR=%{buildroot}
# Move modules in the right place
mkdir -p %{buildroot}%{_fmoddir}
mv %{buildroot}%{_includedir}/*.mod %{buildroot}%{_fmoddir}
# Get rid of .la files
find %{buildroot}%{_libdir} -name *.la -exec rm -rf {} \;
%clean
rm -rf %{buildroot}
%post -p /sbin/ldconfig
%postun -p /sbin/ldconfig
%files
%defattr(-,root,root,-)
%doc README NEWS COPYING AUTHORS ChangeLog TODO
%{_bindir}/xc-info
%{_libdir}/libxc.so.*
%files devel
%defattr(-,root,root,-)
%{_libdir}/libxc.so
%{_includedir}/xc*.h
%{_fmoddir}/libxc_funcs_m.mod
%{_fmoddir}/xc_f90_*.mod
%if %{with single}
%{_fmoddir}/xc_s_f90_*.mod
%endif
%{_libdir}/pkgconfig/libxc.pc
%changelog
* Fri Mar 21 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.0-1
- Enable single precision routines as well.
- Update to 2.1.0.
* Tue Feb 18 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-1
- Update to 2.0.3.
* Mon Feb 17 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.2-3
- Fix bug with some mgga correlation functionals.
* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.2-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
* Wed Jul 10 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.2-1
- Update to 2.0.2.
* Wed Mar 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-3
- Fix FTBFS in rawhide.
* Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.1-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
* Mon Jan 21 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-1
- Update to 2.0.1.
* Fri Dec 7 2012 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.0-1
- Update to 2.0.0.
* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.2.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
* Fri Jun 15 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.2.0-1
- Update to 1.2.0.
* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
* Fri May 13 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.0-1
- Update to 1.1.0.
* Tue Feb 08 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild
* Sun Jan 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-4
- Clean buildroot at the beginning of %%install.
* Sun Jan 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-3
- Update tarball.
- Make requirement on gcc-gfortran in -devel architecture explicit.
* Sat Jan 22 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-2
- Minor review fixes.
* Tue Jan 18 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-1
- Initial specfile.