[gmx-users] Fedora port of Gromacs available

[Jussi Lehtola]

Hi,


installing GROMACS has just become that much easier. I have made RPMs
that have now been included in Fedora 8 and Fedora 9. The packages are
also available in the Fedora EPEL testing branches
( http://fedoraproject.org/wiki/EPEL ).

In Fedora 8-> install with the following command:
	$ yum -y install gromacs
If you also want to be able to run with MPI parallelization:
	$ yum -y install gromacs{‚-mpi}

In RHEL/CentOS/ScientificLinux 4 & 5:
	$ yum --enablerepo=epel-testing -y install gromacs
or
	$ yum --enablerepo=epel-testing -y install gromacs{,-mpi}


If you also want to develop your own analysis software, you must also
install the gromacs-devel package. (For MPI-enabled software the
gromacs-mpi-devel package.)

Once Gromacs 4.0.1 comes out I will update the RPMS, after that it will
take about 3-4 days for the update to reach the mirrors.


The package structure is the following:

gromacs
- single and double precision binaries

gromacs-libs
- libraries for the above

gromacs-mpi
- single and double precision MPI binaries (at the moment only mdrun,
since there isn't a makefile option yet to build also the couple of
analysis tools that have been parallelized)

gromacs-mpi-libs
- libraries for the above

gromacs-common
- man pages
- html documentation
- bash support (GMXRC, GMXRC.sh)
- topology files

gromacs-devel
- header files
- .so symbolic links
- analysis tool template

gromacs-mpi-devel
- .so symbolic links

gromacs-tutor
- tutorial files

gromacs-bash
- bash autocompletion support

gromacs-zsh
- zsh support (GMXRC.zsh and autocompletion)

gromacs-csh
- csh support (GMXRC.csh and autocompletion
in /usr/share/doc/gromacs-csh-4.0/doc)
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50623
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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