Search Criteria
Package Details: gromacs 2023.2-1
Git Clone URL: | https://aur.archlinux.org/gromacs.git (read-only, click to copy) |
---|---|
Package Base: | gromacs |
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/ |
Keywords: | chemistry science simulations |
Licenses: | LGPL |
Submitter: | xyproto |
Maintainer: | hseara (vedranmiletic) |
Last Packager: | vedranmiletic |
Votes: | 23 |
Popularity: | 0.000279 |
First Submitted: | 2011-12-14 17:03 (UTC) |
Last Updated: | 2023-08-04 19:09 (UTC) |
Dependencies (11)
- hwloc
- lapack (aocl-libflame-aoccAUR, blas-mklAUR, lapack-gitAUR, atlas-lapackAUR, blas-aocl-gccAUR, blas-aocl-aoccAUR, openblas-lapackAUR, aocl-libflameAUR, blas-openblas)
- zlib (zlib-ng-compat-gitAUR, zlib-gitAUR, zlib-ng-compatAUR)
- cmake (cmake-gitAUR) (make)
- hwloc (make)
- libxml2 (libxml2-gitAUR, libxml2-2.9AUR) (make)
- cuda (cuda11.1AUR) (optional) – Nvidia GPU support
- opencl-mesa (optional) – OpenCL support for AMD GPU
- opencl-nvidia (opencl-nvidia-410xxAUR, opencl-nvidia-340xxAUR, opencl-nvidia-440xxAUR, opencl-nvidia-430xxAUR, opencl-510xx-nvidiaAUR, opencl-nvidia-vulkanAUR, opencl-nvidia-teslaAUR, opencl-nvidia-470xxAUR, opencl-nvidia-390xxAUR, opencl-nvidia-535xxAUR, opencl-nvidia-525xxAUR, opencl-nvidia-betaAUR) (optional) – OpenCL support for Nvidia GPU
- perl (perl-gitAUR) (optional) – needed for demux.pl and xplor2gmx.pl
- vmdAUR (vmd-binAUR, vmdAUR, vmd-srcAUR) (optional) – Accesibility to other trajectory formats (ONLY WHEN COMPILING)
Latest Comments
« First ‹ Previous 1 .. 3 4 5 6 7 8 9 Next › Last »
hseara commented on 2012-05-09 08:55 (UTC)
duca commented on 2012-04-11 17:32 (UTC)
duca commented on 2012-02-16 20:30 (UTC)
xyproto commented on 2012-02-15 16:43 (UTC)
hseara commented on 2012-02-15 10:58 (UTC)
duca commented on 2012-01-05 21:47 (UTC)
hseara commented on 2011-12-27 09:24 (UTC)
duca commented on 2011-12-26 21:05 (UTC)
« First ‹ Previous 1 .. 3 4 5 6 7 8 9 Next › Last »