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Name: OpenMolcas | Distribution: Fedora Project |
Version: 24.02 | Vendor: Fedora Project |
Release: 1.fc41 | Build date: Thu Feb 15 14:14:25 2024 |
Group: Unspecified | Build host: buildvm-ppc64le-20.iad2.fedoraproject.org |
Size: 105096549 | Source RPM: OpenMolcas-24.02-1.fc41.src.rpm |
Packager: Fedora Project | |
Url: https://gitlab.com/Molcas/OpenMolcas | |
Summary: A multiconfigurational quantum chemistry software package |
OpenMolcas is a quantum chemistry software package developed by scientists and intended to be used by scientists. It includes programs to apply many different electronic structure methods to chemical systems, but its key feature is the multiconfigurational approach, with methods like CASSCF and CASPT2. OpenMolcas is not a fork or reimplementation of Molcas, it is a large part of the Molcas codebase that has been released as free and open-source software (FOSS) under the Lesser GNU Public License (LGPL). Some parts of Molcas remain under a different license by decision of their authors (or impossibility to reach them), and are therefore not included in OpenMolcas.
LGPLv2
* Thu Feb 15 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 24.02-1 - Update to 24.02. * Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 23.10-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 23.10-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Oct 16 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 23.10-1 - Update to release 23.10. * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 23.06-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jun 15 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 23.06-1 - Update to release 23.06. * Wed Mar 15 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 23.02-1 - Update to release 23.02. * Wed Jan 18 2023 Fedora Release Engineering <releng@fedoraproject.org> - 22.10-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Tue Oct 25 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.10-2 - Bump for libxc rebuild. * Sat Oct 15 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.10-1 - Update to release 22.10. * Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 22.06-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Tue Jul 19 2022 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 22.06-2 - Rebuilt for pyparsing-3.0.9 * Wed Jun 15 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.06-1 - Update to release 22.06. * Tue Feb 15 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.02-1 - Update to release 22.02, including libxc support. - Also enabled HDF5 and CheMPS2 support.
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Fabrice Bellet, Thu May 2 01:52:39 2024