-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2013-21552 2013-11-17 05:25:34 --------------------------------------------------------------------------------
Name : cp2k Product : Fedora 18 Version : 2.3 Release : 5.20130310svn12754.fc18 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 single process version.
-------------------------------------------------------------------------------- Update Information:
This update contains latest 2.3 stable branch SVN snapshot and includes the following changes: * adds missing requires for respective blacs and scalapack versions in MPI subpackages * fixes a bug in calculation of overlap and Hamiltonian matrices in DFTB -------------------------------------------------------------------------------- ChangeLog:
* Fri Nov 15 2013 Dominik Mierzejewski rpm@greysector.net - 2.3-5.20130310svn12754 - update to current SVN 2.3 stable branch - use xz to compress SVN snapshot tarball - add requires for respective blacs and scalapack versions * Mon Aug 5 2013 Deji Akingunola dakingun@gmail.com - 2.3-4.20130220 - Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0 * Sat Apr 13 2013 Dominik Mierzejewski rpm@greysector.net - 2.3-3.20130220 - fix crashes in fftw on i686 (patch by Michael Banck) * Wed Feb 20 2013 Dominik Mierzejewski rpm@greysector.net - 2.3-2.20130220 - update to current SVN 2.3 stable branch - re-enable regtests - drop svn patch (no longer needed) - link with libfftw3_omp for ssmp build - reorder libraries in LDFLAGS per M. Guidon's cp2k installation primer - add -ffree-line-length-none to Fortran flags - add a patch to echo the name of reach test (from Debian package) - update libint/libderiv options to match current builds * Wed Sep 5 2012 Dominik Mierzejewski rpm@greysector.net - 2.3-1 - updated to 2.3 release * Sun Aug 26 2012 Dominik Mierzejewski rpm@greysector.net - 2.3-0.20120825 - updated to current 2.3 branch (trunk) - added snapshot creator script - moved new files out of -rpm patch and into separate SourceN entries - dropped non-standard compiler flags from MPI builds --------------------------------------------------------------------------------
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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