pkgbase = pmemd
	pkgdesc = PMEMD module of AMBER software package
	pkgver = 20
	pkgrel = 6
	url = http://ambermd.org/
	arch = x86_64
	license = custom
	makedepends = cmake>=3.8.1
	makedepends = make
	makedepends = gcc9
	makedepends = flex
	makedepends = bison
	makedepends = patch
	makedepends = tcsh
	makedepends = imake
	makedepends = openmpi-gcc9
	makedepends = cuda>=10.1
	depends = ambertools
	optdepends = openmpi-gcc9: MPI support
	optdepends = cuda: GPU acceleration support
	optdepends = plumed: metadynamics support
	optdepends = plumed-mpi: metadynamics support with MPI
	optdepends = vmd: visualize trajectories
	options = !buildflags
	source = local://AmberTools20.tar.bz2
	source = local://Amber20.tar.bz2
	source = pmemd
	source = pmemd.MPI
	source = pmemd.cuda
	source = pmemd.cuda.MPI
	source = cuda-11.1.patch
	sha256sums = b1e1f8f277c54e88abc9f590e788bbb2f7a49bcff5e8d8a6eacfaf332a4890f9
	sha256sums = a4c53639441c8cc85adee397933d07856cc4a723c82c6bea585cd76c197ead75
	sha256sums = 8bd1f818e0b55e866b906ecd497831f674b9a7b995c85899f6c4adc77a908f51
	sha256sums = d454d03f3c88efe231a2282758c0e6b655396d00af40fd4b3ecfb1d8641009b7
	sha256sums = 2a4a139923fcecbe319ae6728a860e8e64835c1dd2d9e626eb5125116a0d790c
	sha256sums = df8b260dc4782a0fd0935ba1fdec8eb013b17c1082cfecff60e933a38a38d5a0
	sha256sums = b666b2f186c5fd40b0be71a52b854060deea690205dbca24606c13c97cbf07de

pkgname = pmemd