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pkgbase = pmemd
pkgdesc = PMEMD module of AMBER software package
pkgver = 20
pkgrel = 7
url = http://ambermd.org/
arch = x86_64
license = custom
makedepends = cmake>=3.10
makedepends = make
makedepends = gcc
makedepends = flex
makedepends = bison
makedepends = patch
makedepends = tcsh
makedepends = imake
makedepends = openmpi
makedepends = cuda>=11.1
depends = ambertools
optdepends = openmpi: 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://AmberTools21.tar.bz2
source = local://Amber20.tar.bz2
source = pmemd
source = pmemd.MPI
source = pmemd.cuda
source = pmemd.cuda.MPI
sha256sums = f55fa930598d5a8e9749e8a22d1f25cab7fcf911d98570e35365dd7f262aaafd
sha256sums = a4c53639441c8cc85adee397933d07856cc4a723c82c6bea585cd76c197ead75
sha256sums = 2c954683c1176f49f29c4899208ef3ae7ec4b050dd1f891c71998f4f27b1cd5a
sha256sums = 41f59ec0c13cdda7584f351d83d2238060cf22b95fb53ea476152664116bfcae
sha256sums = 11f0225dd52ebfa214cc88ac34a2e037924551e2c1f715876b167e2782c187d8
sha256sums = 8cbdffefa5ac731283d10d9b1daa32d2e20ffe4c5aec34525042c36f664cf766
pkgname = pmemd
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