Fedora 22 Update: nwchem-6.5.26243-15.fc22.1

[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        : nwchem
Product     : Fedora 22
Version     : 6.5.26243
Release     : 15.fc22.1
URL         : http://www.nwchem-sw.org/
Summary     : Delivering High-Performance Computational Chemistry to Science
Description :

NWChem aims to provide its users with computational chemistry tools that are
scalable both in their ability to treat large scientific computational
chemistry problems efficiently, and in their use of available parallel
computing resources from high-performance parallel supercomputers to
conventional workstation clusters.

Please cite the following reference when
publishing results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma,
H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong,
"NWChem: a comprehensive and scalable open-source solution for
large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)

There is currently no serial version built.

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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 nwchem' 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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