-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2026-f7519d74c3 2026-02-14 01:08:36.223052+00:00 --------------------------------------------------------------------------------
Name : python-pyscf Product : Fedora 43 Version : 2.12.1 Release : 1.fc43 URL : https://github.com/pyscf/pyscf/ Summary : Python module for quantum chemistry Description : Pythonâbased simulations of chemistry framework (PySCF) is a generalâpurpose 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 finiteâsize systems, extended systems with periodic boundary conditions, lowâdimensional periodic systems, and custom Hamiltonians, using meanâfield and postâmeanâfield 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 Fortranâbased quantum chemistry programs. -------------------------------------------------------------------------------- Update Information: Bugfix release: fixes NumPy 2.4.0 compatibility issue caused by mixing of scalar and 1D array, and improves the optimization function for improved convergence and stability in smearing. Add missing file. -------------------------------------------------------------------------------- ChangeLog: * Wed Feb 4 2026 Susi Lehtola <[email protected]> - 2.12.1-1 - Update to 2.12.1. * Mon Feb 2 2026 Susi Lehtola <[email protected]> - 2.12.0-3 - Add missing basis set metadata. -------------------------------------------------------------------------------- This update can be installed with the "dnf" update program. Use su -c 'dnf upgrade --advisory FEDORA-2026-f7519d74c3' 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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