current/SPECS/gromacs.spec

%define name gromacs
%define version 4.5.3
%define release %mkrel 2

Summary: Molecular dynamics package (non-mpi version)
Name: %name
Version: %version
Release: %release
License: GPL
Group: Sciences/Chemistry
Buildroot: %_tmppath/%name-root
Requires: fftw >= 3.0.1
Source: ftp://ftp.gromacs.org/pub/gromacs/%name-%version.tar.gz
Buildrequires: cmake
Buildrequires: fftw-devel
BuildRequires: libxml2-devel
URL: http://www.gromacs.org

BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-buildroot

%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. Linux kernel 2.4 or later is STRONGLY
recommended on Pentium III and later processors since
GROMACS then can use assembly loops with SSE instructions.
You can also perform parallel simulations if you install
gromacs-lammpi.

%package devel
Summary: Header files and static libraries for GROMACS
Group: Development/C++
Requires: %name = %version
Conflicts: %name < 4.5.3-2

%description devel
This package contains header files, static libraries,
and a program example for the GROMACS molecular
dynamics software. You need it if you want to write your
own analysis programs.

%prep
%setup -q

%build
%cmake -DLIB=%_lib
%make

%install
rm -rf %buildroot
%makeinstall_std -C build

%clean
rm -rf ${RPM_BUILD_ROOT}

%files
%defattr(-,root,root)
%doc AUTHORS COPYING README
%_bindir/
%_mandir/man*/*
%_datadir/%name
%_libdir/*.so.*

%files devel
%defattr(-,root,root)
%_includedir/*
%_libdir/*.so
%_libdir/pkgconfig/*.pc


1	%define name gromacs
2	%define version 4.5.3
3	%define release %mkrel 2
4
5	Summary: Molecular dynamics package (non-mpi version)
6	Name: %name
7	Version: %version
8	Release: %release
9	License: GPL
10	Group: Sciences/Chemistry
11	Buildroot: %_tmppath/%name-root
12	Requires: fftw >= 3.0.1
13	Source: ftp://ftp.gromacs.org/pub/gromacs/%name-%version.tar.gz
14	Buildrequires: cmake
15	Buildrequires: fftw-devel
16	BuildRequires: libxml2-devel
17	URL: http://www.gromacs.org
18
19	BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-buildroot
20
21	%description
22	GROMACS is a versatile and extremely well optimized package
23	to perform molecular dynamics computer simulations and
24	subsequent trajectory analysis. It is developed for
25	biomolecules like proteins, but the extremely high
26	performance means it is used also in several other field
27	like polymer chemistry and solid state physics. This
28	version has the dynamic libs and executables; to hack new
29	utility programs you also need the headers and static
30	libs in gromacs-dev. Linux kernel 2.4 or later is STRONGLY
31	recommended on Pentium III and later processors since
32	GROMACS then can use assembly loops with SSE instructions.
33	You can also perform parallel simulations if you install
34	gromacs-lammpi.
35
36	%package devel
37	Summary: Header files and static libraries for GROMACS
38	Group: Development/C++
39	Requires: %name = %version
40	Conflicts: %name < 4.5.3-2
41
42	%description devel
43	This package contains header files, static libraries,
44	and a program example for the GROMACS molecular
45	dynamics software. You need it if you want to write your
46	own analysis programs.
47
48	%prep
49	%setup -q
50
51	%build
52	%cmake -DLIB=%_lib
53	%make
54
55	%install
56	rm -rf %buildroot
57	%makeinstall_std -C build
58
59	%clean
60	rm -rf ${RPM_BUILD_ROOT}
61
62	%files
63	%defattr(-,root,root)
64	%doc AUTHORS COPYING README
65	%_bindir/
66	%_mandir/man/
67	%_datadir/%name
68	%_libdir/.so.
69
70	%files devel
71	%defattr(-,root,root)
72	%_includedir/*
73	%_libdir/*.so
74	%_libdir/pkgconfig/*.pc
75
76