blob: ce64279a531813320771b67ab9c1449a0c2df7c5 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
|
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 = 2018.3
pkgrel = 2
url = http://www.gromacs.org/
arch = i686
arch = x86_64
license = LGPL
makedepends = cmake
makedepends = libxml2
makedepends = hwloc
makedepends = gcc7
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-2018.3.tar.gz
sha1sums = f17d57b031d37f69981573dd4c70203d52863b61
pkgname = gromacs
|