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authorHector Martinez-Seara2019-04-17 15:06:08 +0200
committerHector Martinez-Seara2019-04-17 15:06:08 +0200
commit9409cf95833682d040c566a4b6ad1063d367dbf5 (patch)
tree505d5c51fb416157a45bd867bb0454f25c5e171c
parent4638f40c1979da8839d6561d9bd28b23633881f1 (diff)
downloadaur-9409cf95833682d040c566a4b6ad1063d367dbf5.tar.gz
Updated to 2019.2
-rw-r--r--.SRCINFO8
-rw-r--r--PKGBUILD8
2 files changed, 9 insertions, 7 deletions
diff --git a/.SRCINFO b/.SRCINFO
index b9ac1cd14f5..fabf24fc5fa 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -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 = 2019.1
- pkgrel = 3
+ pkgver = 2019.2
+ pkgrel = 1
url = http://www.gromacs.org/
arch = i686
arch = x86_64
@@ -18,8 +18,8 @@ pkgbase = gromacs
optdepends = opencl-mesa: OpenCL support for AMD GPU
optdepends = opencl-nvidia: OpenCL support for Nvidia GPU
options = !libtool
- source = http://ftp.gromacs.org/pub/gromacs/gromacs-2019.1.tar.gz
- sha1sums = f9abf82ecbe67b8dfe66874b828c4da2bb780376
+ source = http://ftp.gromacs.org/pub/gromacs/gromacs-2019.2.tar.gz
+ sha1sums = 6d638441221b829f13bd721f79ea7db1be84757f
pkgname = gromacs
diff --git a/PKGBUILD b/PKGBUILD
index 5a8ed810f5d..3c62a3fc01f 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -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
}