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-rw-r--r--.SRCINFO39
1 files changed, 21 insertions, 18 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 0e98d811d98f..ce505d05d077 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,36 +1,39 @@
pkgbase = pmemd
pkgdesc = PMEMD module of AMBER software package
- pkgver = 18
- pkgrel = 3
+ pkgver = 20
+ pkgrel = 1
url = http://ambermd.org/
arch = x86_64
license = custom
+ makedepends = cmake>=3.8.1
makedepends = make
makedepends = gcc8
- makedepends = gcc8-fortran
+ makedepends = flex
+ makedepends = bison
+ makedepends = patch
makedepends = tcsh
makedepends = imake
- makedepends = patch
- depends = openmpi3-gcc8
- depends = fakeroot
- depends = zlib
- depends = bzip2
- depends = gcc8-libs
- depends = flex
- depends = python2
+ makedepends = openmpi-gcc8
+ makedepends = cuda>=7.5
+ depends = ambertools
+ optdepends = openmpi-gcc8: MPI support
+ optdepends = cuda: GPU acceleration support
optdepends = plumed: metadynamics support
optdepends = plumed-mpi: metadynamics support with MPI
options = staticlibs
options = !buildflags
- options = !makeflags
- source = local://AmberTools19.tar.bz2
- source = local://Amber18.tar.bz2
+ source = local://AmberTools20.tar.bz2
+ source = local://Amber20.tar.bz2
source = pmemd
source = pmemd.MPI
- md5sums = afffe8a5473a0bd143b98f0396f52f0f
- md5sums = 6b38d9cfb6e33b719bdf7fe73b26e841
- md5sums = ef2dc0fec7e716075c044a019d8f8f0c
- md5sums = a4fe6129d03ad814744b85584d1aba9a
+ source = pmemd.cuda
+ source = pmemd.cuda.MPI
+ md5sums = 8c1fe81833796a9cb823019e02c522e0
+ md5sums = 559d5b7b872344c268a62ebd5d33f71d
+ md5sums = 9a4dab06ab1ba04f12950b26ec5285e5
+ md5sums = a9a440a1e0c1b1aee7f356869d03b18e
+ md5sums = 69c5d2bdc5e1f6e854c640db7ce1c2ff
+ md5sums = 451eec2b6fa7572f6b61104709588824
pkgname = pmemd