From 6b456d115f103b85b8c647ac2cc7caa0dd60212e Mon Sep 17 00:00:00 2001 From: Dominik Mierzejewski Date: Mar 31 2016 14:10:35 +0000 Subject: mention "missing" binaries in README.fedora file --- diff --git a/gromacs-README.fedora b/gromacs-README.fedora index b06ec76..7e345c4 100644 --- a/gromacs-README.fedora +++ b/gromacs-README.fedora @@ -1,19 +1,22 @@ -Thu Dec 20 2012 -Susi Lehtola +Wed Feb 24 2016 +Dominik Mierzejewski +Some notes about the Fedora GROMACS package: -Some notes about the GROMACS Fedora package: - -- In order to prevent name clashes with other software, all -binaries have been renamed to start with g_ . For instance -grompp is now g_grompp and mdrun is now g_mdrun. +- Per upstream change, since version 5.1, we're no longer shipping +any g_* binaries or symlinks. All functionality is now available +in the main gmx binary. For instance, g_anadock is replaced with +gmx anadock. - All binaries are available in single and dual precision. The binaries with the _d suffix are double precision versions. -For instance g_mdrun is single precision and g_mdrun_d is double +For instance, gmx is single precision and gmx_d is double precision. -- MPI enabled binaries are in gromacs-mpi. These contain, too, -both single and double precision versions. Single precision -versions have _mpi suffix, double precisin versions _mpi_d suffix. -For instance g_mdrun_mpi and g_mdrun_mpi_d. +- MPI enabled binaries are compiled for both MPICH and OpenMPI +and available in gromacs-mpich and gromacs-openmpi subpackages, +respectively. These, too, contain both single and double precision +versions. Single precision versions have _mpich (_openmpi) suffix, +while double precision versions have _mpich_d (_openmpi_d) suffix. +For instance g_mdrun_mpich (g_mdrun_openmpi) and g_mdrun_mpich_d +(g_mdrun_openmpi_d).