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nwchem-7.3.1-4.fc45

complete
Delivering High-Performance Computational Chemistry to Science built by guoguo completed Fri, 30 Oct 2026 12:41:30 UTC
Task 123282

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.

RPMs

9 files, 3 arches
src
noarch
  • nwchem-common-7.3.1-4.fc45.noarch.rpm 5.94 MB info · download
riscv64
  • nwchem-7.3.1-4.fc45.riscv64.rpm 8.25 KB info · download
  • nwchem-mpich-7.3.1-4.fc45.riscv64.rpm 13.67 MB info · download
  • nwchem-openmpi-7.3.1-4.fc45.riscv64.rpm 13.44 MB info · download
  • nwchem-debuginfo-7.3.1-4.fc45.riscv64.rpm 103.80 KB info · download
  • nwchem-debugsource-7.3.1-4.fc45.riscv64.rpm 2.19 MB info · download
  • nwchem-mpich-debuginfo-7.3.1-4.fc45.riscv64.rpm 2.02 MB info · download
  • nwchem-openmpi-debuginfo-7.3.1-4.fc45.riscv64.rpm 2.01 MB info · download

Logs

riscv64

Changelog

* Wed Jul 22 2026 Python Maint <python-maint@redhat.com> - 7.3.1-4
- Rebuilt for Python 3.15.0b4 ABI change

* Thu Jul 16 2026 Fedora Release Engineering <releng@fedoraproject.org> - 7.3.1-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild

* Wed Jun 03 2026 Python Maint <python-maint@redhat.com> - 7.3.1-2
- Rebuilt for Python 3.15

* Thu Jan 15 2026 Marcin Dulak <marcindulak@fedoraproject.org> - 7.3.1-1
- New upstream release

* Sat Oct 25 2025 Marcin Dulak <marcindulak@fedoraproject.org> - 7.3.0-1
- New upstream release

* Thu Jul 24 2025 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.3-7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild

* Tue Jun 03 2025 Python Maint <python-maint@redhat.com> - 7.2.3-6
- Rebuilt for Python 3.14

* Fri Mar 07 2025 Ralf Corsépius <corsepiu@fedoraproject.org> - 7.2.3-5
- Rebuild for scalapack SONAME change.

* Mon Feb 17 2025 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.3-4
- Patch for gcc-15 "error: expected identifier or '(' before 'false'"
- Use gcc -std=gnu17 to avoid md5wrap.c:48:5: error: too many arguments to function ‘MD5Init’

* Fri Jan 17 2025 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.3-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild

* Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 7.2.3-2
- Rebuild against libxc 7.0.0 in rawhide.

* Tue Sep 24 2024 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.3-1
- New upstream release

* Wed Aug 07 2024 Miroslav Suchý <msuchy@redhat.com> - 7.2.2-8
- convert license to SPDX