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pkgbase = gromacs
pkgdesc = A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
pkgver = 2021.2
pkgrel = 2
url = http://www.gromacs.org/
arch = x86_64
license = LGPL
makedepends = cmake
makedepends = libxml2
makedepends = hwloc
depends = lapack
depends = zlib
depends = hwloc
optdepends = cuda: Nvidia GPU support
optdepends = vmd: Accesibility to other trajectory formats (ONLY WHEN COMPILING)
optdepends = perl: needed for demux.pl and xplor2gmx.pl
optdepends = opencl-mesa: OpenCL support for AMD GPU
optdepends = opencl-nvidia: OpenCL support for Nvidia GPU
options = !libtool
source = http://ftp.gromacs.org/pub/gromacs/gromacs-2021.2.tar.gz
sha256sums = d940d865ea91e78318043e71f229ce80d32b0dc578d64ee5aa2b1a4be801aadb
pkgname = gromacs
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