-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2024-9f44daba88 2024-09-13 20:43:08.471424 -------------------------------------------------------------------------------- Name : python-optking Product : Fedora 41 Version : 0.3.0 Release : 3.fc41 URL : https://github.com/psi-rking/optking Summary : A Python version of the PSI4 geometry optimization program by R.A. King Description : optking (also known as pyoptking) is a rewrite of the c++ optking module in psi4. This rewrite was undertaken to enable future development and for use with recent interoperability efforts (e.g. MolSSI QCArchive and QCDB). optking is focused on optimization of molecular geometries: finding minima, transition states, and reaction paths. Current work is focused especially on expanding the reaction path methods. -------------------------------------------------------------------------------- Update Information: New package. -------------------------------------------------------------------------------- ChangeLog: * Mon Sep 2 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 0.3.0-3 - Removed explicit requires. * Mon Sep 2 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 0.3.0-2 - Review fixes. * Wed Aug 28 2024 Susi Lehtola <jussilehtola@xxxxxxxxxxxxxxxxx> - 0.3.0-1 - First release. -------------------------------------------------------------------------------- References: [ 1 ] Bug #2308329 - Review Request: python-optking - a Python version of the PSI4 geometry optimization program by R.A. King https://bugzilla.redhat.com/show_bug.cgi?id=2308329 -------------------------------------------------------------------------------- This update can be installed with the "dnf" update program. Use su -c 'dnf upgrade --advisory FEDORA-2024-9f44daba88' 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
