Tue, 18 Feb 2025 12:58:42 UTC | login

Information for build gromacs-2022.3-2.fc37

ID220747
Package Namegromacs
Version2022.3
Release2.fc37
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/gromacs.git#d87762c134d73b7d6a1a59709632d4a10688c075
SummaryFast, Free and Flexible Molecular Dynamics
DescriptionGROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.
Built bydavidlt
State failed
Volume DEFAULT
StartedSun, 13 Nov 2022 14:42:58 UTC
CompletedMon, 14 Nov 2022 13:04:21 UTC
Taskbuild (f37, /rpms/gromacs.git:d87762c134d73b7d6a1a59709632d4a10688c075)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/gromacs.git#d87762c134d73b7d6a1a59709632d4a10688c075'}}
Tags No tags
RPMs No RPMs
Changelog * Wed Sep 28 2022 Christoph Junghans <junghans@votca.org> - 2022.3-2 - Rebuild for muparser * Fri Sep 02 2022 Fedora Release Monitoring <release-monitoring@fedoraproject.org> - 2022.3-1 - Update to 2022.3 (#2123647) * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2022.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Fri Jun 17 2022 Christoph Junghans <junghans@votca.org> - 2022.2-1 - Version bump to v2022.2 (bug #2097747) * Fri Apr 22 2022 Christoph Junghans <junghans@votca.org> - 2022.1-1 - Version bump to v2022.1 (bug #2057081) * Sat Jan 29 2022 Christoph Junghans <junghans@votca.org> - 2021.5-1 - Version bump to v2021.5 (bug #1787785) * Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2019.6-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Thu Jul 22 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2019.6-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2019.6-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Wed Oct 14 2020 Jeff Law <law@redhat.com> - 2019.6-8 - Add missing #includes for gcc-11