diff --git a/.gitignore b/.gitignore index e69de29..0f6f7bf 100644 --- a/.gitignore +++ b/.gitignore @@ -0,0 +1 @@ +/libxc-1.0.tar.gz diff --git a/libxc.spec b/libxc.spec new file mode 100644 index 0000000..965a977 --- /dev/null +++ b/libxc.spec @@ -0,0 +1,91 @@ +Name: libxc +Summary: Library of exchange and correlation functionals to be used in DFT codes +Version: 1.0 +Release: 4%{?dist} +License: LGPLv3+ +Group: Applications/Engineering +BuildRoot: %{_tmppath}/%{name}-%{version}-buildroot +Source: 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} = %{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 +%configure --enable-shared --disable-static +# SMP make is not working. +#make %{?_smp_mflags} +make + +%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 +%{_libdir}/libxc.so.* + +%files devel +%defattr(-,root,root,-) +%{_libdir}/libxc.so +%{_includedir}/xc*.h +%{_fmoddir}/libxc_funcs_m.mod +%{_fmoddir}/xc_f90_*.mod +%{_libdir}/pkgconfig/libxc.pc + +%changelog +* Sun Jan 23 2011 Jussi Lehtola - 1.0-4 +- Clean buildroot at the beginning of %%install. + +* Sun Jan 23 2011 Jussi Lehtola - 1.0-3 +- Update tarball. +- Make requirement on gcc-gfortran in -devel architecture explicit. + +* Sat Jan 22 2011 Jussi Lehtola - 1.0-2 +- Minor review fixes. + +* Tue Jan 18 2011 Jussi Lehtola - 1.0-1 +- Initial specfile. diff --git a/sources b/sources index e69de29..3f496f9 100644 --- a/sources +++ b/sources @@ -0,0 +1 @@ +4a8ef0c8fccc695e65466ec1a8878280 libxc-1.0.tar.gz