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 = 2023.1
	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 = https://gitlab.com/gromacs/gromacs/-/archive/v2023.1/gromacs-v2023.1.tar.gz
	sha256sums = a9a0e5f8dbf6d813ea4fb30d3efe67848cc7fc9d1b3faed0d825dcf4fdf7dd85

pkgname = gromacs