File gromacs-pymacs.spec of Package gromacs-pymacs

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File gromacs-pymacs.spec of Package gromacs-pymacs (Revision 7149497d8bf7ac7df1648b5449508727)

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Name:           gromacs-pymacs
%if 0%{?suse_version} > 1020
BuildRequires:  fdupes
%endif
License:        GPL
Group:          Productivity/Scientific/Chemistry
AutoReqProv:    on
Summary:        A molecular dynamics package, modified 
Version:        4.0.5
Release:        1.0
Source0:        gromacs-4.0.5.tar.bz2
Patch0:         1_pymacs.patch
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.

%debug_package
%prep
%setup -q
%patch0 -p1

%build
./configure --without-x --enable-shared 
make

%install
make install
%fdupes $RPM_BUILD_ROOT

%clean
rm -rf $RPM_BUILD_ROOT

%files 
%defattr(-,root,root)

%changelog
* Wed Aug 26 2009 Ansgar Esztermann <aeszter@gwdg.de>
- initial package: version 4.0.5

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File gromacs-pymacs.spec of Package gromacs-pymacs (Revision 7149497d8bf7ac7df1648b5449508727)

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