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 = 2024.1
	pkgrel = 2
	url = http://www.gromacs.org/
	arch = x86_64
	license = LGPL
	makedepends = cmake
	makedepends = libxml2
	makedepends = hwloc
	depends = lapack
	depends = zlib
	depends = hwloc
	depends = gcc12
	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-clover-mesa: OpenCL support for AMD/Intel GPU
	optdepends = opencl-rusticl-mesa: OpenCL support for AMD/Intel GPU
	optdepends = opencl-nvidia: OpenCL support for Nvidia GPU
	options = !libtool
	source = https://gitlab.com/gromacs/gromacs/-/archive/v2024.1/gromacs-v2024.1.tar.gz
	sha256sums = b215e25ab4b99ab0b037770a3108c0d4a7917311a8345524a4fd5423f91c7e46

pkgname = gromacs