[gmx-users] Fedora port of Gromacs available

Jussi Lehtola jussi.lehtola at helsinki.fi
Tue Oct 21 09:11:32 CEST 2008


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
	$ 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:

- single and double precision binaries

- libraries for the above

- 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)

- libraries for the above

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

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

- .so symbolic links

- tutorial files

- bash autocompletion support

- zsh support (GMXRC.zsh and autocompletion)

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

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