blob: 52a70f1c82b9d16287899b2b4e6769a9c88c028f (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
|
pkgbase = pmemd
pkgdesc = PMEMD module of AMBER software package
pkgver = 20
pkgrel = 8
url = http://ambermd.org/
arch = x86_64
license = custom
makedepends = cmake>=3.10
makedepends = make
makedepends = gcc10
makedepends = gcc10-fortran
makedepends = flex
makedepends = bison
makedepends = patch
makedepends = tcsh
makedepends = imake
makedepends = openmpi-gcc10
makedepends = cuda>=11.1
depends = ambertools
optdepends = openmpi-gcc10: 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 = 2e7418cf146654c31f524a4e88afdc7a15d6151246beaad25c564676df492670
sha256sums = 340c9dcfc5eddf05aeb30681f9e3ea422601f95f5d73c528b58296c3f3cbf8d2
sha256sums = ec3051b823c01d34c04096f5babc74d1619abb8cf4ea8e78139af4fb66e11b34
sha256sums = e776cd7b01f6f7bbb2668c3d9822de6f842c1ce963f24f017829a50e47a90fad
pkgname = pmemd
|