-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2024-3bdd2364b9 2024-10-26 02:51:35.421541 -------------------------------------------------------------------------------- Name : python-pyscf Product : Fedora 41 Version : 2.7.0 Release : 3.fc41 URL : https://github.com/pyscf/pyscf/ Summary : Python module for quantum chemistry Description : Pythonâ??based simulations of chemistry framework (PySCF) is a generalâ??purpose electronic structure platform designed from the ground up to emphasize code simplicity, so as to facilitate new method development and enable flexible computational workflows. The package provides a wide range of tools to support simulations of finiteâ??size systems, extended systems with periodic boundary conditions, lowâ??dimensional periodic systems, and custom Hamiltonians, using meanâ??field and postâ??meanâ??field methods with standard Gaussian basis functions. To ensure ease of extensibility, PySCF uses the Python language to implement almost all of its features, while computationally critical paths are implemented with heavily optimized C routines. Using this combined Python/C implementation, the package is as efficient as the best existing C or Fortranâ??based quantum chemistry programs. -------------------------------------------------------------------------------- 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: * Wed Oct 16 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 2.7.0-3 - Bump release * Sat Oct 12 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 2.7.0-2 - Bump release to rebuild against libxc 7 in rawhide (f42). -------------------------------------------------------------------------------- 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 --------------------------------------------------------------------------------
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