.SRCINFO


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pkgbase = gromacs-plumed
	pkgdesc = GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched)
	pkgver = 2024.3
	pkgrel = 1
	url = http://www.gromacs.org/
	arch = x86_64
	license = LGPL-2.1-only
	makedepends = cmake
	makedepends = gcc13
	depends = lapack
	depends = fftw
	depends = zlib
	depends = hwloc
	depends = gcc13-libs
	depends = tinyxml2
	depends = plumed>=2.9.2
	optdepends = cuda: Nvidia GPU support
	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
	options = !lto
	source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-2024.3.tar.gz
	sha256sums = bbda056ee59390be7d58d84c13a9ec0d4e3635617adf2eb747034922cba1f029

pkgname = gromacs-plumed