Fedora EPEL 6 Update: cp2k-2.4-2.20130620svn12994.el6

updates at fedoraproject.org updates at fedoraproject.org
Thu Jan 9 04:38:23 UTC 2014


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Fedora EPEL Update Notification
FEDORA-EPEL-2013-12476
2013-12-24 17:01:46
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Name        : cp2k
Product     : Fedora EPEL 6
Version     : 2.4
Release     : 2.20130620svn12994.el6
URL         : http://cp2k.org/
Summary     : A molecular dynamics engine capable of classical and Car-Parrinello simulations
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.

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

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Update Information:

Increase maximum angular momentum (BZ #1045781), but limit optimized one.
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References:

  [ 1 ] Bug #1045781 - Can't run calculations with large basis sets
        https://bugzilla.redhat.com/show_bug.cgi?id=1045781
  [ 2 ] Bug #1037165 - libint FTBFS if "-Werror=format-security" flag is used
        https://bugzilla.redhat.com/show_bug.cgi?id=1037165
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This update can be installed with the "yum" update programs.  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 EPEL 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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