Fri, 29 Nov 2024 21:57:30 UTC | login

Information for build gromacs-2018.4-1.fc29

ID75261
Package Namegromacs
Version2018.4
Release1.fc29
Epoch
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 complete
Volume DEFAULT
StartedMon, 26 Nov 2018 12:02:55 UTC
CompletedMon, 26 Nov 2018 15:48:45 UTC
Taskbuild (f29-candidate, gromacs-2018.4-1.fc29.src.rpm)
Tags
f29
f30
f31
f32
f33
f37
f38
f39
f40
RPMs
src
gromacs-2018.4-1.fc29.src.rpm (info) (download)
noarch
gromacs-common-2018.4-1.fc29.noarch.rpm (info) (download)
gromacs-doc-2018.4-1.fc29.noarch.rpm (info) (download)
riscv64
gromacs-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-devel-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-libs-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-mpich-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-opencl-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-openmpi-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-debuginfo-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-debugsource-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-libs-debuginfo-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-mpich-debuginfo-2018.4-1.fc29.riscv64.rpm (info) (download)
gromacs-openmpi-debuginfo-2018.4-1.fc29.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
root.log
state.log
Changelog * Mon Nov 12 2018 Christoph Junghans <junghans@votca.org> - 2018.4-1 - Version bump to 2018.4 * 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 * Fri Sep 15 2017 Christoph Junghans <junghans@votca.org> - 2016.4-1 - Update to 2016.4 * Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2016.3-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2016.3-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Tue Mar 14 2017 Christoph Junghans <junghans@votca.org> - 2016.3-1 - Update to 2016.3 * Tue Feb 07 2017 Christoph Junghans <junghans@votca.org> - 2016.2-1 - Update to 2016.2 - Drop boost dependency, not uses anymore - Drop gromacs-tng.patch, made it upstream * Fri Jan 27 2017 Jonathan Wakely <jwakely@redhat.com> - 2016.1-3 - Rebuilt for Boost 1.63 * Fri Dec 23 2016 Christoph Junghans <junghans@votca.org> - 2016.1-2 - fixed wording description - drop dangerous GMXRC* - not needed when installed in /usr would prepent /usr/lib in LD_LIBRARY_PATH -drop otherwise empty zsh/csh package as actual completion is done in 2016 nothing left in package after removing GMXRC.* - fix location of bash-completion - added GMX_USE_RDTSCP=OFF for docker, which has not support of rdtscp yet