Fedora 41 Update: cp2k-2024.1-11.fc41

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

 



--------------------------------------------------------------------------------
Fedora Update Notification
FEDORA-2024-3bdd2364b9
2024-10-26 02:51:35.421541
--------------------------------------------------------------------------------

Name        : cp2k
Product     : Fedora 41
Version     : 2024.1
Release     : 11.fc41
URL         : https://www.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.

--------------------------------------------------------------------------------
Update Information:

Update Libxc to version 7.0.0 and rebuilds of related packages. Some important
API improvements are included in Libxc 7, see list at
https://gitlab.com/libxc/libxc/-/releases/7.0.0
As a major improvement, this release fixes a long-standing compatibility issue
with GPAW.
--------------------------------------------------------------------------------
ChangeLog:

* Sat Oct 12 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 2024.1-11
- [skip changelog] add patch to fix broken detection logic
* Sat Oct 12 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 2024.1-10
- [skip changelog] fix comment format
* Sat Oct 12 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx>
- Rebuild against libxc 7.0.0 in rawhide
--------------------------------------------------------------------------------
References:

  [ 1 ] Bug #2140559 - Meta-GGA functionals from Libxc do not work in gpaw
        https://bugzilla.redhat.com/show_bug.cgi?id=2140559
  [ 2 ] Bug #2318712 - OpenMolcas-24.10 is available
        https://bugzilla.redhat.com/show_bug.cgi?id=2318712
--------------------------------------------------------------------------------

This update can be installed with the "dnf" update program. Use
su -c 'dnf upgrade --advisory FEDORA-2024-3bdd2364b9' at the command
line. For more information, refer to the dnf documentation available at
http://dnf.readthedocs.io/en/latest/command_ref.html#upgrade-command-label

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
--------------------------------------------------------------------------------

-- 
_______________________________________________
package-announce mailing list -- package-announce@xxxxxxxxxxxxxxxxxxxxxxx
To unsubscribe send an email to package-announce-leave@xxxxxxxxxxxxxxxxxxxxxxx
Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/
List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines
List Archives: https://lists.fedoraproject.org/archives/list/package-announce@xxxxxxxxxxxxxxxxxxxxxxx
Do not reply to spam, report it: https://pagure.io/fedora-infrastructure/new_issue




[Index of Archives]     [Fedora Users]     [Fedora Legacy]     [Fedora Desktop]     [Fedora SELinux]     [Big List of Linux Books]     [Yosemite News]     [Yosemite Photos]     [KDE Users]

  Powered by Linux