Name: | gromacs |
---|---|
Version: | 2018.2 |
Release: | 1.el7 |
Architecture: | aarch64 |
Group: | Unspecified |
Size: | 828619 |
License: | GPLv2+ |
RPM: | gromacs-2018.2-1.el7.aarch64.rpm |
Source RPM: | gromacs-2018.2-1.el7.src.rpm |
Build Date: | Wed Aug 15 2018 |
Build Host: | ca-buildarm02.us.oracle.com |
Vendor: | Oracle America |
URL: | http://www.gromacs.org |
Summary: | Fast, Free and Flexible Molecular Dynamics |
Description: | GROMACS 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. |
- 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
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
- Bump to version 2018.1 (bug #1559202)
- add gcc-c++ as BuildRequires - use bundled tinyml2 to build tests, system one is too new
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
- Update to 2018 - Drop 43a0002.diff, merged upstream
- Update to 2018-rc1 for testing - Update b7713bf.diff to 43a0002.diff
- 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
- Update to 2016.4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild