Fedora 22 Update: dl_poly-1.9.20140324-8.fc22

[updates at fedoraproject.org]

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Fedora Update Notification
FEDORA-2015-4630
2015-03-26 16:41:37
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Name        : dl_poly
Product     : Fedora 22
Version     : 1.9.20140324
Release     : 8.fc22
URL         : http://www.ccp5.ac.uk/DL_POLY_CLASSIC/
Summary     : General purpose classical molecular dynamics (MD) simulation
Description :

DL_POLY Classic is a general purpose molecular dynamics simulation
package developed at Daresbury Laboratory by W. Smith, T.R. Forester
and I.T. Todorov.  It is based on the package DL_POLY_2, which was
originally developed by the Computational Chemistry Group, (CCG) at
Daresbury Laboratory under the auspices of the Engineering and
Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC's
Collaborative Computational Project for the Computer Simulation of
Condensed Phases.

DL_POLY Classic can be executed as a serial or a parallel application.
The code achieves parallelisation using the Replicated Data strategy
which is suitable for homogeneous, distributed-memory, parallel
computers.  The code is useful for simulations of up to 30,000 atoms
with good parallel performance on up to 100 processors, though in some
circumstances it can exceed or fail to reach these limits.

Reference: I.T. Todorov, W. Smith, K. Trachenko & M.T. Dove,
Journal of Materials Chemistry, (2006) 16, 1911-1918

This is a serial version.

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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 dl_poly' 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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