Thu, 27 Feb 2025 18:20:21 UTC | login

Information for build gromacs-2019.3-1.fc31.2

ID129308
Package Namegromacs
Version2019.3
Release1.fc31.2
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/gromacs.git#3e798669fdc129ffe465c55aea75763c9732c89c
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
StartedFri, 20 Sep 2019 14:45:53 UTC
CompletedSun, 22 Sep 2019 05:48:23 UTC
Taskbuild (f31-candidate, /rpms/gromacs.git:3e798669fdc129ffe465c55aea75763c9732c89c)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/gromacs.git#3e798669fdc129ffe465c55aea75763c9732c89c'}}
Tags No tags
RPMs No RPMs
Changelog * 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 * Tue Mar 27 2018 Christoph Junghans <junghans@votca.org> - 2018.1-1 - Bump to version 2018.1 (bug #1559202) * Sat Feb 24 2018 Christoph Junghans <junghans@votca.org> - 2018-1.2 - add gcc-c++ as BuildRequires - use bundled tinyml2 to build tests, system one is too new * Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2018-1.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Fri Jan 19 2018 Christoph Junghans <junghans@votca.org> - 2018-1 - Update to 2018 - Drop 43a0002.diff, merged upstream * Sat Dec 30 2017 Christoph Junghans <junghans@votca.org> - 2018-0.2rc1 - Update to 2018-rc1 for testing - Update b7713bf.diff to 43a0002.diff * Mon Dec 25 2017 Christoph Junghans <junghans@votca.org> - 2018-0.1beta3 - Update to 2018-beta3 for testing - Disable HardwareTopologyTest.NumaCacheSelfconsistency test on aarch64 - Run regressiontests for serial build (don't work for mpi build) - Clean up - Drop execstack as everything is intristic now - No la .files anymore, so drop find -delete - OpenMPI was ported to s390, so enable it everywhere