diff options
| author | Hector Mtz-Seara | 2023-05-19 12:08:00 +0200 |
|---|---|---|
| committer | Hector Mtz-Seara | 2023-05-19 12:08:00 +0200 |
| commit | 36ce3a9d5072c76b638e2092240688eec106539b (patch) | |
| tree | 579da79fec5cf822bdce64241355e6dd4b5c641e | |
| parent | 51f3660f850deb8ecc7470ef5fb61782a9d77173 (diff) | |
| download | aur-gromacs-plumed.tar.gz | |
Updated to 2022.5 with 2.8.2
| -rw-r--r-- | .SRCINFO | 10 | ||||
| -rw-r--r-- | PKGBUILD | 10 |
2 files changed, 10 insertions, 10 deletions
@@ -1,7 +1,7 @@ pkgbase = gromacs-plumed pkgdesc = GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched) - pkgver = 2021.3 - pkgrel = 2 + pkgver = 2022.5 + pkgrel = 1 url = http://www.gromacs.org/ arch = x86_64 license = LGPL @@ -10,12 +10,12 @@ pkgbase = gromacs-plumed makedepends = hwloc depends = lapack depends = zlib - depends = plumed>=2.7.2 + depends = plumed>=2.8.2 optdepends = cuda: Nvidia GPU support optdepends = opencl-mesa: OpenCL support for AMD GPU optdepends = opencl-nvidia: OpenCL support for Nvidia GPU options = !libtool - source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-2021.3.tar.gz - sha256sums = e109856ec444768dfbde41f3059e3123abdb8fe56ca33b1a83f31ed4575a1cc6 + source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-2022.5.tar.gz + sha256sums = 083cc3c424bb93ffe86c12f952e3e5b4e6c9f6520de5338761f24b75e018c223 pkgname = gromacs-plumed @@ -1,10 +1,10 @@ # Contributor: Hector <hsearaDOTatDOTgmailDOTcom> pkgname=gromacs-plumed -pkgver=2021.3 -_gromacsver=2021.3 -_plumedver=2.7.2 -pkgrel=2 +pkgver=2022.5 +_gromacsver=2022.5 +_plumedver=2.8.2 +pkgrel=1 pkgdesc='GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched)' url='http://www.gromacs.org/' license=("LGPL") @@ -16,7 +16,7 @@ optdepends=('cuda: Nvidia GPU support' makedepends=('cmake' 'libxml2' 'hwloc') options=('!libtool') source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz) -sha256sums=('e109856ec444768dfbde41f3059e3123abdb8fe56ca33b1a83f31ed4575a1cc6') +sha256sums=('083cc3c424bb93ffe86c12f952e3e5b4e6c9f6520de5338761f24b75e018c223') export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #Gromacs will have the ability to read any |