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author | Hector Mtz-Seara | 2021-09-01 12:28:59 +0200 |
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committer | Hector Mtz-Seara | 2021-09-01 12:28:59 +0200 |
commit | b0d8791417573e17186c2271d710f899e5a9f2cc (patch) | |
tree | fa67fa906091f47876e2d60d1ff05c2417dd661a /PKGBUILD | |
parent | 9fa68e0ead7ae9a1c2cbe6a0a73a407e7f8b695e (diff) | |
download | aur-gromacs-2020-complete.tar.gz |
Updated to 2020.6
Diffstat (limited to 'PKGBUILD')
-rw-r--r-- | PKGBUILD | 9 |
1 files changed, 7 insertions, 2 deletions
@@ -2,7 +2,7 @@ # Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> pkgname=gromacs-2020-complete -pkgver=2020.5 +pkgver=2020.6 pkgrel=1 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/' @@ -17,13 +17,18 @@ optdepends=('cuda: Nvidia GPU support' makedepends=('cmake' 'libxml2' 'hwloc') options=('!libtool') source=(http://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz) -sha256sums=('7b6aff647f7c8ee1bf12204d02cef7c55f44402a73195bd5f42cf11850616478') +sha256sums=('d8bbe57ed3c9925a8cb99ecfe39e217f930bed47d5268a9e42b33da544bdb2ee') export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #Gromacs will have the ability to read any #trajectory file format that can be read by #VMD installation (e.g. AMBER's DCD format). +#For cuda support gcc10 is required, if you do not need cuda support comment the next two lines and install cuda +export CC=gcc-10 +export CXX=g++-10 + + build() { mkdir -p ${srcdir}/{single,double} |