Fedora 22 Update: gromacs-4.6.5-6.fc22

updates at fedoraproject.org updates at fedoraproject.org
Mon May 11 00:07:05 UTC 2015


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Fedora Update Notification
FEDORA-2015-4630
2015-03-26 16:41:37
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Name        : gromacs
Product     : Fedora 22
Version     : 4.6.5
Release     : 6.fc22
URL         : http://www.gromacs.org
Summary     : Fast, Free and Flexible Molecular Dynamics
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 package provides single and double precision binaries.
The documentation is in the package gromacs-common.

mdrun has been compiled with thread parallellization, so it runs in parallel
on shared memory systems. If you want to run on a cluster, you probably want
to install one of the MPI parallellized packages.

N.B. All binaries have names starting with g_, for example mdrun has been
renamed to g_mdrun.

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Update Information:

Update mpich to latest upstream stable version and rebuild dependent packages because of so version change. Update elpa to current release with runtime-selectable kernels
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References:

  [ 1 ] Bug #1155118 - libelpa.so needs mpi_wtime_ missing in openmpi
        https://bugzilla.redhat.com/show_bug.cgi?id=1155118
  [ 2 ] Bug #921534 - Violation of MPI package guidelines
        https://bugzilla.redhat.com/show_bug.cgi?id=921534
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This update can be installed with the "yum" update program.  Use
su -c 'yum update gromacs' at the command line.
For more information, refer to "Managing Software with yum",
available at http://docs.fedoraproject.org/yum/.

All packages are signed with the Fedora Project GPG key.  More details on the
GPG keys used by the Fedora Project can be found at
https://fedoraproject.org/keys
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