summarylogtreecommitdiffstats
diff options
context:
space:
mode:
-rw-r--r--.SRCINFO6
-rw-r--r--PKGBUILD17
2 files changed, 12 insertions, 11 deletions
diff --git a/.SRCINFO b/.SRCINFO
index d2462fbf99b..d9c02c6209d 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,6 +1,6 @@
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 = 2016.2
+ pkgver = 2016.3
pkgrel = 1
url = http://www.gromacs.org/
arch = i686
@@ -15,8 +15,8 @@ pkgbase = gromacs
depends = libx11
depends = gcc5
options = !libtool
- source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.2.tar.gz
- sha1sums = 59fd8a8a6b9fc798577c745638a5d3a447a3d2a0
+ source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.3.tar.gz
+ sha1sums = 1ae1ea922b94c74f43ee066e3ea64bafa1c6c3b6
pkgname = gromacs
diff --git a/PKGBUILD b/PKGBUILD
index 2ec84625652..3394ab447a3 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,11 +1,8 @@
# $Id: PKGBUILD 57440 2011-10-27 20:16:15Z lcarlier $
# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom>
-# Contributor: Eduardo Martins Lopes "duca" <edumlopes@gmail.com>
-# Contributor: Abhishek Dasgupta <abhidg@gmail.com>
-# Contributor: Ricardo <rikardo.horo@gmail.com>
pkgname=gromacs
-pkgver=2016.2
+pkgver=2016.3
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/'
@@ -15,7 +12,7 @@ depends=('blas' 'lapack' 'cblas' 'zlib' 'hwloc' 'libx11' 'gcc5')
makedepends=('cmake')
options=('!libtool')
source=(ftp://ftp.gromacs.org/pub/gromacs/${pkgname}-${pkgver}.tar.gz)
-sha1sums=('59fd8a8a6b9fc798577c745638a5d3a447a3d2a0')
+sha1sums=('1ae1ea922b94c74f43ee066e3ea64bafa1c6c3b6')
#With gcc5 currently there are less errors in the tests
# also the compilation is possible in cuda capable machines
@@ -27,11 +24,15 @@ build() {
mkdir -p ${srcdir}/{single,double}
###### CMAKE OPTIONS DISABLE BY DEFAULT ###########
- # If you are using a haswell CPU, you will have #
- # problems compiling with AVX2 support unless you #
- # modify march=native in the /etc/makepkg.conf: #
+ # If you are using an AVX2 capable CPU, you will #
+ # not have AVX2 binaries unless you set -march to #
+ # 'native', your respective architecture flag: #
+ # https://gcc.gnu.org/onlinedocs/gcc-5.3.0/gcc/x86-Options.html#x86-Options #
+ # or just include '-mavx2' to the default compiler#
+ # flags in the /etc/makepkg.conf: #
# https://wiki.archlinux.org/index.php/Makepkg#Architecture.2C_compile_flagsAdd #
###################################################
+
msg2 "Building the double precision files"
cd ${srcdir}/double
cmake ../${pkgname}-${pkgver}/ \