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author | Hector Martinez-Seara | 2019-01-27 18:22:58 +0100 |
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committer | Hector Martinez-Seara | 2019-01-27 18:22:58 +0100 |
commit | 5df5c555af90feb97f5b3db7b30028c75f8a2087 (patch) | |
tree | 4b99e5adcc97124b0f2b2e8051892323f3ac6459 | |
parent | 0a7c240bec79dd61f9a134ef1765f997e132e387 (diff) | |
download | aur-gromacs-5.1-complete.tar.gz |
Compilation using GCC7 that is compatible with cuda10
-rw-r--r-- | .SRCINFO | 3 | ||||
-rw-r--r-- | PKGBUILD | 10 |
2 files changed, 7 insertions, 6 deletions
@@ -1,7 +1,7 @@ pkgbase = gromacs-5.1-complete 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 = 5.1.5 - pkgrel = 1 + pkgrel = 2 url = http://www.gromacs.org/ arch = i686 arch = x86_64 @@ -9,6 +9,7 @@ pkgbase = gromacs-5.1-complete makedepends = cmake makedepends = libxml2 makedepends = hwloc + makedepends = gcc7 depends = lapack depends = zlib depends = libx11 @@ -2,7 +2,7 @@ pkgname=gromacs-5.1-complete pkgver=5.1.5 -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") @@ -11,7 +11,7 @@ depends=('lapack' 'zlib' 'libx11') optdepends=('cuda: Nvidia GPU support' 'openmotif: needed for gmx view' 'perl: needed for demux.pl and xplor2gmx.pl') -makedepends=('cmake' 'libxml2' 'hwloc') +makedepends=('cmake' 'libxml2' 'hwloc' 'gcc7') options=('!libtool') source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz GMXRC.bash.cmakein.patch) @@ -23,9 +23,9 @@ export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #trajectory file format that can be read by #VMD installation (e.g. AMBER's DCD format). -export CC=gcc-6 -export CXX=g++-6 -export CFLAGS="-march=native -O2 -pipe -fstack-protector-strong -fno-plt" +export CC=gcc-7 +export CXX=g++-7 +export CFLAGS="-march=native -O2 -pipe -fstack-protector-strong" export CXXFLAGS="${CFLAGS}" prepare() { |