Fedora 22 Update: cp2k-2.6.0-2.fc22
updates at fedoraproject.org
updates at fedoraproject.org
Mon May 11 00:07:06 UTC 2015
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Fedora Update Notification
FEDORA-2015-4630
2015-03-26 16:41:37
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Name : cp2k
Product : Fedora 22
Version : 2.6.0
Release : 2.fc22
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:
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 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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