Name: | gromacs-mpich |
---|---|
Version: | 2018.8 |
Release: | 1.el7 |
Architecture: | x86_64 |
Group: | Unspecified |
Size: | 22105080 |
License: | GPLv2+ |
RPM: | gromacs-mpich-2018.8-1.el7.x86_64.rpm |
Source RPM: | gromacs-2018.8-1.el7.src.rpm |
Build Date: | Mon Oct 21 2019 |
Build Host: | x86-ol7-builder-02.us.oracle.com |
Vendor: | Oracle America |
URL: | http://www.gromacs.org |
Summary: | GROMACS MPICH binaries and libraries |
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. mdrun has been compiled with thread parallellization (for running on a single node) and with MPICH (for running on multiple nodes). This package single and double precision binaries and libraries. |
- Version bump to 2018.8
- 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