Name: | gromacs |
---|---|
Version: | 2018.7 |
Release: | 1.el7 |
Architecture: | x86_64 |
Group: | Unspecified |
Size: | 495371 |
License: | GPLv2+ |
RPM: | gromacs-2018.7-1.el7.x86_64.rpm |
Source RPM: | gromacs-2018.7-1.el7.src.rpm |
Build Date: | Sun Jun 23 2019 |
Build Host: | x86-ol7-builder-03.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 2018.7
- Version bump to 2018.6, 2019.1 cannot be build due to missing deps
- Rebuild for openmpi 3.1.3
- Version bump to 2018.5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
- Version bump to 2018.4 - Re-added gromacs-issue-2366.patch for f28 and lower
- Enable OpenCL for some archs on epel7 - Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed
- Version bump to 2018.3 - Major spec files clean up
- 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