Fedora 19 Update: cp2k-2.4-4.20130620svn12994.fc19

updates at fedoraproject.org updates at fedoraproject.org
Tue Dec 3 10:32:53 UTC 2013

Fedora Update Notification
2013-11-17 05:25:32

Name        : cp2k
Product     : Fedora 19
Version     : 2.4
Release     : 4.20130620svn12994.fc19
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.

Update Information:

This update includes psmp variants (MPI+OpenMP) and moves ssmp build to main package.


* Fri Nov 15 2013 Dominik Mierzejewski <rpm at greysector.net> - 2.4-4.20130620svn12994
- update to latest 2.4 branch snapshot
- use xz to compress SVN snapshot tarball
- build psmp variants (MPI+OpenMP)
- move ssmp build to main package and drop smp subpackage
- drop local config files, patch upstream's and symlink when necessary
- save the output of tools/get_arch_code and re-use it
* Mon Aug  5 2013 Deji Akingunola <dakingun at gmail.com> - 2.4-3
- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0
* Wed Jun 19 2013 Dominik Mierzejewski <rpm at greysector.net> - 2.4-2
- add MPI implementation suffix back to MPI binaries (required by guidelines)
* Mon Jun 17 2013 Dominik Mierzejewski <rpm at greysector.net> - 2.4-1
- update to 2.4 release
- drop gfortran-4.8 patch (fixed upstream)
- reorder libraries in LDFLAGS again to follow current upstream config
- rename both MPI binaries to cp2k.popt
* Thu Apr 18 2013 Dominik Mierzejewski <rpm at greysector.net> - 2.4-0.5.20130418
- correct SVN url in snapshot script
- update to current SVN trunk (r12842)
- use (and patch) upstream-provided configs for x86_64 ssmp and popt builds
- no need to force FC=gfortran anymore

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/.

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