diff options
-rw-r--r-- | .SRCINFO | 3 | ||||
-rw-r--r-- | PKGBUILD | 8 |
2 files changed, 8 insertions, 3 deletions
@@ -1,7 +1,7 @@ pkgbase = gromacs pkgdesc = A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. pkgver = 2019.3 - pkgrel = 1 + pkgrel = 2 url = http://www.gromacs.org/ arch = i686 arch = x86_64 @@ -9,6 +9,7 @@ pkgbase = gromacs makedepends = cmake makedepends = libxml2 makedepends = hwloc + makedepends = gcc8 depends = lapack depends = zlib depends = hwloc @@ -3,7 +3,7 @@ pkgname=gromacs pkgver=2019.3 -pkgrel=1 +pkgrel=2 pkgdesc='A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.' url='http://www.gromacs.org/' license=("LGPL") @@ -14,7 +14,7 @@ optdepends=('cuda: Nvidia GPU support' 'perl: needed for demux.pl and xplor2gmx.pl' 'opencl-mesa: OpenCL support for AMD GPU' 'opencl-nvidia: OpenCL support for Nvidia GPU') -makedepends=('cmake' 'libxml2' 'hwloc') +makedepends=('cmake' 'libxml2' 'hwloc' 'gcc8') options=('!libtool') source=(http://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz) sha1sums=('c4a639024d1a1e2b9cdaea180610a56c1596dcaa') @@ -24,6 +24,10 @@ export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #trajectory file format that can be read by #VMD installation (e.g. AMBER's DCD format). +#For cuda8 support gcc8 is required, if you do not need cuda support comment the next two lines +export CC=gcc-8 +export CXX=g++-8 + build() { mkdir -p ${srcdir}/{single,double} |