File gromacs-pymacs.spec of Package gromacs-pymacs

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File gromacs-pymacs.spec of Package gromacs-pymacs

Name:           gromacs-pymacs
%if 0%{?suse_version} > 1020
BuildRequires:  fdupes
%endif
%if 0%{?suse_version}
BuildRequires: fftw3-devel
%endif
%if 0%{?fedora}%{?centos_version}
BuildRequires: fftw-devel
%endif
License:        GPL
Group:          Productivity/Scientific/Chemistry
AutoReqProv:    on
Summary:        A molecular dynamics package, modified 
Version:        4.0.5
Release:        7.1
Source0:        gromacs-4.0.5.tar.bz2
Patch0:         1_pymacs.patch.bz2
BuildRoot:      %{_tmppath}/%{name}-%{version}-build

%description
GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory
analysis. It is developed for biomolecules like proteins, but the
extremely high performance means it is used also in several other
field like polymer chemistry and solid state physics. This version has
the dynamic libs and executables; to hack new utility programs you
also need the headers and static libs in gromacs-dev.

This is a modified version for use with pymacs.

Authors:
--------
    David van der Spoel <spoel@gromacs.org>
    Berk Hess <hess@gromacs.org>
    Erik Lindahl <lindahl@gromacs.org>

%package devel
Summary:        A molecular dynamics package, modified 
Group:          Productivity/Scientific/Chemistry
%if 0%{?suse_version}
Requires: fftw3-devel
%endif
%if 0%{?fedora}%{?centos_version}
Requires: fftw3-devel
%endif

%description devel
GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory
analysis. It is developed for biomolecules like proteins, but the
extremely high performance means it is used also in several other
field like polymer chemistry and solid state physics. This version has
the dynamic libs and executables; to hack new utility programs you
also need the headers and static libs in gromacs-dev.

This is a modified version for use with pymacs.

Authors:
--------
    David van der Spoel <spoel@gromacs.org>
    Berk Hess <hess@gromacs.org>
    Erik Lindahl <lindahl@gromacs.org>

%prep
%setup -q -n gromacs-%{version}
%patch0 -p1

%build
./configure --without-x --enable-shared \
  --prefix=%{_prefix}/lib/%{name}
make %{?jobs:-j%jobs}

%install
make DESTDIR=${RPM_BUILD_ROOT} install
gzip %{buildroot}/%{_prefix}/lib/%{name}/share/man/man1/*
strip %{buildroot}/%{_prefix}/lib/%{name}/bin/g_*
mkdir -p %{buildroot}/etc/ld.so.conf.d/
echo %{_prefix}/lib/%{name}/lib > \
  %{buildroot}/etc/ld.so.conf.d/%{name}.conf
%if 0%{?suse_version}
%fdupes $RPM_BUILD_ROOT
%endif

%clean
rm -rf $RPM_BUILD_ROOT

%post -p /sbin/ldconfig

%postun -p /sbin/ldconfig

%files 
%defattr(-,root,root)
%dir %{_prefix}/lib/%{name}
%dir %{_prefix}/lib/%{name}/bin
%dir %{_prefix}/lib/%{name}/lib
%dir %{_prefix}/lib/%{name}/share
%dir %{_prefix}/lib/%{name}/share/gromacs
%dir %{_prefix}/lib/%{name}/share/gromacs/top
%dir %{_prefix}/lib/%{name}/share/gromacs/tutor
%dir %{_prefix}/lib/%{name}/share/man
%dir %{_prefix}/lib/%{name}/share/man/man1
%{_prefix}/lib/%{name}/share/man/man1/*
%{_prefix}/lib/%{name}/share/gromacs/top/*
%{_prefix}/lib/%{name}/share/gromacs/tutor/*
%docdir %{_prefix}/lib/%{name}/share/gromacs/html
%{_prefix}/lib/%{name}/share/gromacs/html/
%{_prefix}/lib/%{name}/bin/*
%{_prefix}/lib/%{name}/lib/libgmx.so.*
%{_prefix}/lib/%{name}/lib/libgmxana.so.*
%{_prefix}/lib/%{name}/lib/libgmxpreprocess.so.*
%{_prefix}/lib/%{name}/lib/libmd.so.*
%{_prefix}/lib/%{name}/lib/libcnc.so.*
%config /etc/ld.so.conf.d/%{name}.conf

%files devel
%defattr(644,root,root,755)
%dir %{_prefix}/lib/%{name}/share/gromacs/template
%{_prefix}/lib/%{name}/share/gromacs/template/*
%dir %{_prefix}/lib/%{name}/include
%dir %{_prefix}/lib/%{name}/include/gromacs
%{_prefix}/lib/%{name}/include/gromacs/*
%{_prefix}/lib/%{name}/lib/libcnc.a
%{_prefix}/lib/%{name}/lib/libcnc.la
%{_prefix}/lib/%{name}/lib/libcnc.so
%{_prefix}/lib/%{name}/lib/libgmxana.a
%{_prefix}/lib/%{name}/lib/libgmxana.la
%{_prefix}/lib/%{name}/lib/libgmx.a
%{_prefix}/lib/%{name}/lib/libgmx.la
%{_prefix}/lib/%{name}/lib/libgmxpreprocess.a
%{_prefix}/lib/%{name}/lib/libgmxpreprocess.la
%{_prefix}/lib/%{name}/lib/libmd.a
%{_prefix}/lib/%{name}/lib/libmd.la
%{_prefix}/lib/%{name}/lib/libgmx.so
%{_prefix}/lib/%{name}/lib/libgmxana.so
%{_prefix}/lib/%{name}/lib/libgmxpreprocess.so
%{_prefix}/lib/%{name}/lib/libmd.so

%changelog

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