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author | Hector Mtz-Seara | 2021-08-30 11:03:08 +0200 |
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committer | Hector Mtz-Seara | 2021-08-30 11:03:08 +0200 |
commit | 366f302e826be5ce362bb5e1fae8c4c41d4b6736 (patch) | |
tree | c2ff06e61c0361e946ff3dc4d07db232f4fadddd /PKGBUILD | |
parent | 7bd66833b18b3d50c8cdb22ba76f546abc71bbe1 (diff) | |
download | aur-366f302e826be5ce362bb5e1fae8c4c41d4b6736.tar.gz |
Updated gromacs@2021.3
Diffstat (limited to 'PKGBUILD')
-rw-r--r-- | PKGBUILD | 8 |
1 files changed, 4 insertions, 4 deletions
@@ -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 |