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Package Details: gromacs 2023.2-1
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Git Clone URL: | https://aur.archlinux.org/gromacs.git (read-only, click to copy) |
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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: | 24 |
Popularity: | 0.000322 |
First Submitted: | 2011-12-14 17:03 (UTC) |
Last Updated: | 2023-08-04 19:09 (UTC) |
Dependencies (11)
- hwloc
- lapack (aocl-libflame-aoccAUR, aocl-libflameAUR, blas-mklAUR, lapack-gitAUR, atlas-lapackAUR, blas-aocl-gccAUR, blas-aocl-aoccAUR, openblas-lapackAUR, 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, vmd-srcAUR, vmdAUR) (optional) – Accesibility to other trajectory formats (ONLY WHEN COMPILING)
Latest Comments
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<deleted-account> commented on 2015-06-16 22:54 (UTC)
<deleted-account> commented on 2015-06-16 20:08 (UTC)
<deleted-account> commented on 2015-06-15 13:44 (UTC)
hseara commented on 2015-06-02 20:24 (UTC)
necomancer commented on 2015-05-30 03:56 (UTC)
<deleted-account> commented on 2015-05-24 02:03 (UTC)
hseara commented on 2015-01-13 12:15 (UTC)
dotsdl commented on 2014-12-28 16:15 (UTC)
duca commented on 2014-12-26 16:27 (UTC)
hseara commented on 2014-12-09 10:45 (UTC)
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