Fedora 20 Update: cp2k-2.5.1-2.fc20

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Fedora Update Notification
FEDORA-2014-13357
2014-10-21 09:20:00
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Name        : cp2k
Product     : Fedora 20
Version     : 2.5.1
Release     : 2.fc20
URL         : http://cp2k.org/
Summary     : Ab Initio Molecular Dynamics
Description :

CP2K is a freely available (GPL) program, written in Fortran 95, to
perform atomistic and molecular simulations of solid state, liquid,
molecular and biological systems. It provides a general framework for
different methods such as e.g. density functional theory (DFT) using a
mixed Gaussian and plane waves approach (GPW), and classical pair and
many-body potentials.

CP2K does not implement Car-Parinello Molecular Dynamics (CPMD).

This package contains the non-MPI single process and multi-threaded versions.

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Update Information:

This update is built against external ELPA library and bring the following upstream bug fixes:

* Bug fix on dispersion energy (D3) for atoms with extreme coordination numbers
* Fix compilation of fes
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ChangeLog:

* Tue Oct 14 2014 Dominik Mierzejewski  - 2.5.1-2
- try to fix "orte_plm_base_select failed" error in all tests under
  OpenMPI
* Sun Oct 12 2014 Dominik Mierzejewski  - 2.5.1-1
- add ELPA support
- fix download link for reference test data
- run tests with openmpi on 2 cores
- update to upstream 2.5.1 release
- drop backported compilation fix
* Tue May 13 2014 Thomas Spura  - 2.5.0-2
- add upstream reference data for evaluating tests
* Tue Mar 11 2014 Dominik Mierzejewski  - 2.5.0-1
- update to upstream 2.5 release
- backport compilation fix from SVN
- fix description (cp2k doesn't implement Car-Parinello Molecular Dynamics)
- add _isa to blacs/scalapack requirements to ensure proper dependencies
  in multiarch environments
* Tue Dec 24 2013 Susi Lehtola  - 2.5-0.3.20131112svn13316
- Rebuild against new libint.
* Fri Nov 15 2013 Dominik Mierzejewski  - 2.5-0.2.20131112svn13316
- use xz to compress SVN snapshot tarball
* Wed Nov 13 2013 Dominik Mierzejewski  - 2.5-0.1.20131112svn13316
- update to current SVN trunk
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This update can be installed with the "yum" update program.  Use
su -c 'yum update cp2k' 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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