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authorHector Mtz-Seara2021-08-30 11:03:08 +0200
committerHector Mtz-Seara2021-08-30 11:03:08 +0200
commit366f302e826be5ce362bb5e1fae8c4c41d4b6736 (patch)
treec2ff06e61c0361e946ff3dc4d07db232f4fadddd /PKGBUILD
parent7bd66833b18b3d50c8cdb22ba76f546abc71bbe1 (diff)
downloadaur-366f302e826be5ce362bb5e1fae8c4c41d4b6736.tar.gz
Updated gromacs@2021.3
Diffstat (limited to 'PKGBUILD')
-rw-r--r--PKGBUILD8
1 files changed, 4 insertions, 4 deletions
diff --git a/PKGBUILD b/PKGBUILD
index f1b5dd028a2d..4c0ec54d3193 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -2,8 +2,8 @@
# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom>
pkgname=gromacs
-pkgver=2021.2
-pkgrel=3
+pkgver=2021.3
+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/'
license=("LGPL")
@@ -17,14 +17,14 @@ optdepends=('cuda: Nvidia GPU support'
makedepends=('cmake' 'libxml2' 'hwloc')
options=('!libtool')
source=(http://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz)
-sha256sums=('d940d865ea91e78318043e71f229ce80d32b0dc578d64ee5aa2b1a4be801aadb')
+sha256sums=('e109856ec444768dfbde41f3059e3123abdb8fe56ca33b1a83f31ed4575a1cc6')
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
+#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