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author | Hector Martinez-Seara | 2020-10-14 21:35:29 +0200 |
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committer | Hector Martinez-Seara | 2020-10-14 21:35:29 +0200 |
commit | f403d6854234e7b98dcf788f6e272342758066f0 (patch) | |
tree | 6408b3b1a08bce88964d3c14fe17017ea5f068a1 | |
parent | 21684c7d6cb01b0f4f5f4182223cdf16c9e3a645 (diff) | |
download | aur-f403d6854234e7b98dcf788f6e272342758066f0.tar.gz |
Update gromacs 2020.4
-rw-r--r-- | .SRCINFO | 8 | ||||
-rw-r--r-- | PKGBUILD | 10 |
2 files changed, 9 insertions, 9 deletions
@@ -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 = 2020.3 + pkgver = 2020.4 pkgrel = 1 url = http://www.gromacs.org/ arch = x86_64 @@ -8,7 +8,7 @@ pkgbase = gromacs makedepends = cmake makedepends = libxml2 makedepends = hwloc - makedepends = gcc8 + makedepends = gcc9 depends = lapack depends = zlib depends = hwloc @@ -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-2020.3.tar.gz - sha256sums = 903183691132db14e55b011305db4b6f4901cc4912d2c56c131edfef18cc92a9 + source = http://ftp.gromacs.org/pub/gromacs/gromacs-2020.4.tar.gz + sha256sums = 5519690321b5500c7951aaf53ff624042c3edd1a5f5d6dd1f2d802a3ecdbf4e6 pkgname = gromacs @@ -2,7 +2,7 @@ # Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> pkgname=gromacs -pkgver=2020.3 +pkgver=2020.4 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/' @@ -14,10 +14,10 @@ optdepends=('cuda: Nvidia GPU support' 'perl: needed for demux.pl and xplor2gmx.pl' 'opencl-mesa: OpenCL support for AMD GPU' 'opencl-nvidia: OpenCL support for Nvidia GPU') -makedepends=('cmake' 'libxml2' 'hwloc' 'gcc8') +makedepends=('cmake' 'libxml2' 'hwloc' 'gcc9') options=('!libtool') source=(http://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz) -sha256sums=('903183691132db14e55b011305db4b6f4901cc4912d2c56c131edfef18cc92a9') +sha256sums=('5519690321b5500c7951aaf53ff624042c3edd1a5f5d6dd1f2d802a3ecdbf4e6') export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #Gromacs will have the ability to read any @@ -25,8 +25,8 @@ export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #VMD installation (e.g. AMBER's DCD format). #For cuda8 support gcc8 is required, if you do not need cuda support comment the next two lines -export CC=gcc-8 -export CXX=g++-8 +export CC=gcc-9 +export CXX=g++-9 build() { mkdir -p ${srcdir}/{single,double} |