File plumed.spec of Package plumed

# norootforbuild

Name:           plumed
Version:        2.8.1
Release:        1
Group:          Productivity/Scientific/Physics
Distribution:	openSUSE
License:        LGPL-3.0
BuildRoot:      %{_tmppath}/%{name}-%{version}-build
BuildRequires:  gcc-c++
BuildRequires:  fdupes
#xxd
BuildRequires:  vim-base 
Source:         %{name}-src-%{version}.tar.bz2
URL:		http://www.plumed-code.org
Autoreqprov:    on
Summary: Free energy calculations in molecular systems
%global _lto_cflags %{?_lto_cflags} -ffat-lto-objects

%package devel
Summary: Free energy calculations in molecular systems
Group:   Development/Libraries/C Development/Libraries/Fortran

%description
PLUMED is an open source library for free energy calculations in molecular
systems which works together with some of the most popular molecular
dynamics engines. Free energy calculations can be performed as a
function of many order parameters with a particular  focus on
biological problems, using state of the art methods such as
metadynamics, umbrella sampling and Jarzynski-equation based steered
MD. The software, written in C++, can be easily interfaced with both
fortran and C/C++ codes.

%description devel
Development package for PLUMED, an open source library for free energy calculations in molecular
systems which works together with some of the most popular molecular
dynamics engines. Free energy calculations can be performed as a
function of many order parameters with a particular  focus on
biological problems, using state of the art methods such as
metadynamics, umbrella sampling and Jarzynski-equation based steered
MD. The software, written in C++, can be easily interfaced with both
fortran and C/C++ codes.


%prep
%setup -q

%build

%configure 
%{__make} %{?_smp_mflags}

%install
%{__make} DESTDIR=${RPM_BUILD_ROOT} \
  PLUMED_INSTALL_PREFIX=%{_prefix} \
  PLUMED_INSTALL_ROOT=%{_prefix}/lib/%{name} \
  libdir=%{_libdir} install 
%fdupes ${RPM_BUILD_ROOT}/usr/include
%fdupes ${RPM_BUILD_ROOT}/%{_libdir}/%{name}/patches

%files
%defattr(-,root,root)
%{_bindir}/plumed
%{_bindir}/plumed-config
%{_bindir}/plumed-patch
%{_libdir}/libplumed.so
%{_libdir}/libplumedKernel.so
%dir %{_libdir}/%{name}
%{_libdir}/%{name}/vim
%{_libdir}/%{name}/modulefile
%{_libdir}/%{name}/scripts
%{_libdir}/%{name}/plumed-config
%{_libdir}/%{name}/plumed-mklib
%{_libdir}/%{name}/plumed-newcv
%{_libdir}/%{name}/plumed-partial_tempering
%{_libdir}/%{name}/plumed-patch
%{_libdir}/%{name}/plumed-runtime
%{_libdir}/%{name}/plumed-selector
%{_libdir}/%{name}/plumed-vim2html

%files devel
%defattr(-,root,root)
%{_includedir}/%{name}
%{_libdir}/lib%{name}.a
%{_libdir}/lib%{name}Wrapper.a
%{_libdir}/pkgconfig/%{name}.pc
%{_libdir}/pkgconfig/%{name}Internals.pc
%{_libdir}/pkgconfig/%{name}Wrapper.pc
%{_libdir}/%{name}/patches
%{_libdir}/%{name}/src
%{_libdir}/%{name}/fortran


%changelog