nwchem-7.2.2-7.fc41 | Build Info

Information for build nwchem-7.2.2-7.fc41

338328

Package Name

nwchem

Version

7.2.2

Release

7.fc41

Epoch

Source

git+https://src.fedoraproject.org/rpms/nwchem.git#a181f62279c56e84252a21625c3d67a941a1ac52

Summary

Delivering 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 by

davidlt

State

complete

Volume

DEFAULT

Started

Mon, 19 Aug 2024 10:04:05 UTC

Completed

Wed, 21 Aug 2024 23:42:25 UTC

Task

build (f41, /rpms/nwchem.git:a181f62279c56e84252a21625c3d67a941a1ac52)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/nwchem.git#a181f62279c56e84252a21625c3d67a941a1ac52'}}

Tags

f41

f42

RPMs

src
	nwchem-7.2.2-7.fc41.src.rpm (info) (download)
noarch
	nwchem-common-7.2.2-7.fc41.noarch.rpm (info) (download)
riscv64
	nwchem-7.2.2-7.fc41.riscv64.rpm (info) (download)
	nwchem-mpich-7.2.2-7.fc41.riscv64.rpm (info) (download)
	nwchem-openmpi-7.2.2-7.fc41.riscv64.rpm (info) (download)
	nwchem-debuginfo-7.2.2-7.fc41.riscv64.rpm (info) (download)
	nwchem-debugsource-7.2.2-7.fc41.riscv64.rpm (info) (download)
	nwchem-mpich-debuginfo-7.2.2-7.fc41.riscv64.rpm (info) (download)
	nwchem-openmpi-debuginfo-7.2.2-7.fc41.riscv64.rpm (info) (download)

Logs

riscv64
	state.log
	build.log
	root.log
	hw_info.log
	mock_output.log
	noarch_rpmdiff.json

Changelog

* Thu Jul 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.2-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Sat Jun 08 2024 Python Maint <python-maint@redhat.com> - 7.2.2-6 - Rebuilt for Python 3.13 * Fri Feb 16 2024 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.2-5 - Patch for implicit declaration of function ‘Py_SetProgramName' https://github.com/nwchemgit/nwchem/issues/950 * Thu Jan 25 2024 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.2-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sun Jan 21 2024 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.2-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * 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

Main Site Links:

Information for build nwchem-7.2.2-7.fc41