Tue, 28 May 2024 16:28:07 UTC | login

Information for build gromacs-2019.6-1.fc33

ID148963
Package Namegromacs
Version2019.6
Release1.fc33
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/gromacs.git#069304185364f09c7fec6c17e942cbc82008af5f
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
StartedTue, 31 Mar 2020 07:06:32 UTC
CompletedTue, 31 Mar 2020 18:23:19 UTC
Taskbuild (f33, /rpms/gromacs.git:069304185364f09c7fec6c17e942cbc82008af5f)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/gromacs.git#069304185364f09c7fec6c17e942cbc82008af5f'}}
Tags No tags
RPMs No RPMs
Changelog * Fri Feb 28 2020 Christoph Junghans <junghans@votca.org> - 2019.6-1 - Version bump to 2019.6 * Sat Feb 15 2020 Christoph Junghans <junghans@votca.org> - 2019.5-3 - fix build with gcc10 * Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2019.5-2.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Thu Jan 09 2020 Christoph Junghans <junghans@votca.org> - 2019.5-1.1 - Rebuild for koji * Mon Dec 23 2019 Christoph Junghans <junghans@votca.org> - 2019.5-1 - Version bump to 2019.5 (bug #1786201) * Wed Oct 02 2019 Christoph Junghans <junghans@votca.org> - 2019.4-1 - Version bump to 2019.4 (bug #1757694) - drop cmake-3.11.4.patch to merged upstream * Sun Aug 25 2019 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2019.3-1.2 - Rebuilt for hwloc-2.0 * Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2019.3-1.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Fri Jun 14 2019 Christoph Junghans <junghans@votca.org> - 2019.3-1 - Version bump to 2019.3 (bug #1720697) * Tue Apr 16 2019 Christoph Junghans <junghans@votca.org> - 2019.2-1 - Version bump to 2019.2 (bug #1677678) * Sat Feb 16 2019 Christoph Junghans <junghans@votca.org> - 2019.1-1 - Version bump to 2019.1 (bug #1677678) * Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 2018.5-2 - Rebuild for openmpi 3.1.3 * Fri Feb 01 2019 Christoph Junghans <junghans@votca.org> - 2018.5-1 - Version bump to 2018.5 * Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2018.4-1.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Mon Nov 12 2018 Christoph Junghans <junghans@votca.org> - 2018.4-1 - Version bump to 2018.4 - Re-added gromacs-issue-2366.patch for f28 and lower * Thu Nov 08 2018 Christoph Junghans <junghans@votca.org> - 2018.3-2 - Enable OpenCL for some archs on epel7 - Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed * Fri Nov 02 2018 Christoph Junghans <junghans@votca.org> - 2018.3-1 - Version bump to 2018.3 - Major spec files clean up * Wed Jul 18 2018 Christoph Junghans <junghans@votca.org> - 2018.2-1 - Version bump to 2018.2 (bug #1591052) - Add support for lmfit-7 (patch will be part of v2019) - Switch to OpenBlas (bug #1602822) - Disable brittle regressiontests * Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2018.1-1.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild