.SRCINFO


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

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 = 2020.4
	pkgrel = 1
	url = http://www.gromacs.org/
	arch = x86_64
	license = LGPL
	makedepends = cmake
	makedepends = libxml2
	makedepends = hwloc
	makedepends = gcc9
	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-2020.4.tar.gz
	sha256sums = 5519690321b5500c7951aaf53ff624042c3edd1a5f5d6dd1f2d802a3ecdbf4e6

pkgname = gromacs