Mon, 03 Mar 2025 00:58:44 UTC | login

Information for build nwchem-7.2.2-2.fc40

ID274487
Package Namenwchem
Version7.2.2
Release2.fc40
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/nwchem.git#c6aada3249c001cb4b155ea3cf917e952bf37951
SummaryDelivering High-Performance Computational Chemistry to Science
Description NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) There is currently no serial version built.
Built bydavidlt
State failed
Volume DEFAULT
StartedTue, 02 Jan 2024 18:42:09 UTC
CompletedWed, 03 Jan 2024 08:26:54 UTC
Taskbuild (f40, /rpms/nwchem.git:c6aada3249c001cb4b155ea3cf917e952bf37951)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/nwchem.git#c6aada3249c001cb4b155ea3cf917e952bf37951'}}
Tags No tags
RPMs No RPMs
Changelog * Fri Nov 10 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.2-2 - Fix verbose mpich output truncation https://github.com/nwchemgit/nwchem/issues/895 * Mon Nov 06 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.2-1 - New upstream release - Print outputs of failed tests https://github.com/nwchemgit/nwchem/issues/895 * Fri Oct 20 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.1-1 - New upstream release * Thu Jul 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.0-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Tue Jun 13 2023 Python Maint <python-maint@redhat.com> - 7.2.0-3 - Rebuilt for Python 3.12 * Fri Jun 09 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.0-2 - Switch to flexiblas-openblas-openmp due to bug #2182460 * Tue Mar 28 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.0-1 - New upstream release - Build with libxc support bug #2081873 - Remove %{ix86} support due to openmpi bug #2142304 * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.2-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Fri Jul 22 2022 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.2-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Mon Jun 13 2022 Python Maint <python-maint@redhat.com> - 7.0.2-10 - Rebuilt for Python 3.11 * Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.2-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild