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Name: OpenMolcas | Distribution: Fedora Project |
Version: 22.10 | Vendor: Fedora Project |
Release: 1.fc37 | Build date: Sat Oct 15 12:23:39 2022 |
Group: Unspecified | Build host: buildvm-a64-22.iad2.fedoraproject.org |
Size: 61007010 | Source RPM: OpenMolcas-22.10-1.fc37.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
* 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. * Wed Jan 19 2022 Fedora Release Engineering <releng@fedoraproject.org> - 21.10-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Fri Nov 26 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 21.10-1 - Update to release 21.10. * Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 21.06-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Tue Jun 15 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 21.06-1 - Update to release 21.06. * Thu May 06 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 21.02-1 - Disable builds on 32-bit architectures by request of upstream. - Update to release 21.02. * Mon Jan 25 2021 Fedora Release Engineering <releng@fedoraproject.org> - 20.10-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Sat Nov 07 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 20.10-1 - Update to release 20.10. * Sat Nov 07 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 19.11-8 - Some files necessary for pymolcas were missing.
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Fabrice Bellet, Tue Apr 9 19:05:07 2024