Search Criteria
Package Details: gromacs-2020-complete 2020.6-1
Package Actions
| Git Clone URL: | https://aur.archlinux.org/gromacs-2020-complete.git (read-only, click to copy) |
|---|---|
| Package Base: | gromacs-2020-complete |
| Description: | A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. |
| Upstream URL: | http://www.gromacs.org/ |
| Licenses: | LGPL |
| Submitter: | hseara |
| Maintainer: | hseara |
| Last Packager: | hseara |
| Votes: | 0 |
| Popularity: | 0.000000 |
| First Submitted: | 2021-01-28 16:50 (UTC) |
| Last Updated: | 2021-09-01 10:29 (UTC) |
Dependencies (11)
- hwloc
- lapack (openblas-lapack-git, lapack-tmg, lapack-git, armpl, atlas-lapack, openblas-lapack-static, openblas-lapack)
- zlib (zlib-static, zlib-ng-compat-git, zlib-git, zlib-ng-compat)
- cmake (cmake-git) (make)
- hwloc (make)
- libxml2 (libxml2-git) (make)
- cuda (cuda-11.0, cuda11.1) (optional) – Nvidia GPU support
- opencl-mesa (mesa-minimal+-git, mesa-d3d12, opencl-mesa-panfork-git, mesa-git, mesa-git-adreno, mesa-rusticl-git, mesa-amdonly-gaming-git, opencl-mesa-steamos, rusticl-mesa-minimal-git) (optional) – OpenCL support for AMD GPU
- opencl-nvidia (opencl-nvidia-410xx, opencl-nvidia-340xx, opencl-nvidia-440xx, opencl-nvidia-430xx, opencl-nvidia-merged, opencl-510xx-nvidia, opencl-nvidia-390xx, opencl-nvidia-470xx, opencl-nvidia-vulkan, opencl-nvidia-beta) (optional) – OpenCL support for Nvidia GPU
- perl (perl-git) (optional) – needed for demux.pl and xplor2gmx.pl
- vmd (vmd-bin, vmd, vmd-src) (optional) – Accesibility to other trajectory formats (ONLY WHEN COMPILING)