diff options
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 8 |
1 files changed, 5 insertions, 3 deletions
@@ -2,8 +2,8 @@ # Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> pkgname=gromacs -pkgver=2019.1 -pkgrel=3 +pkgver=2019.2 +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/' license=("LGPL") @@ -17,7 +17,7 @@ optdepends=('cuda: Nvidia GPU support' makedepends=('cmake' 'libxml2' 'hwloc') options=('!libtool') source=(http://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz) -sha1sums=('f9abf82ecbe67b8dfe66874b828c4da2bb780376') +sha1sums=('6d638441221b829f13bd721f79ea7db1be84757f') export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #Gromacs will have the ability to read any @@ -36,6 +36,7 @@ build() { -DGMX_DOUBLE=ON \ -DGMX_BUILD_OWN_FFTW=ON \ -DREGRESSIONTEST_DOWNLOAD=ON + #-DGMX_SIMD=AVX2_256 \ make msg2 "Building the single precision files" @@ -45,6 +46,7 @@ build() { -DCMAKE_INSTALL_LIBDIR=lib\ -DGMX_BUILD_OWN_FFTW=ON \ -DREGRESSIONTEST_DOWNLOAD=ON + #-DGMX_SIMD=AVX2_256 \ make } |