Gromacs 2022

2 files changed, 8 insertions, 9 deletions

diff --git a/.SRCINFO b/.SRCINFO
index e90429de4bde..b54ff6eba564 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 = 2021.4
+	pkgver = 2022
 	pkgrel = 1
 	url = http://www.gromacs.org/
 	arch = x86_64
@@ -11,14 +11,13 @@ pkgbase = gromacs
 	depends = lapack
 	depends = zlib
 	depends = hwloc
-	depends = gcc10
 	optdepends = cuda: Nvidia GPU support
 	optdepends = vmd: Accesibility to other trajectory formats (ONLY WHEN COMPILING)
 	optdepends = perl: needed for demux.pl and xplor2gmx.pl
 	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-2021.4.tar.gz
-	sha256sums = cb708a3e3e83abef5ba475fdb62ef8d42ce8868d68f52dafdb6702dc9742ba1d
+	source = http://ftp.gromacs.org/pub/gromacs/gromacs-2022.tar.gz
+	sha256sums = fad60d606c02e6164018692c6c9f2c159a9130c2bf32e8c5f4f1b6ba2dda2b68
 
 pkgname = gromacs
diff --git a/PKGBUILD b/PKGBUILD
index 523330e4b2ce..ee9190d5d38b 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -2,13 +2,13 @@
 # Maintainer: Hector <hsearaDOTatDOTgmailDOTcom>
 
 pkgname=gromacs
-pkgver=2021.4
+pkgver=2022
 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")
 arch=('x86_64')
-depends=('lapack' 'zlib' 'hwloc' 'gcc10')
+depends=('lapack' 'zlib' 'hwloc')
 optdepends=('cuda: Nvidia GPU support'
             'vmd: Accesibility to other trajectory formats (ONLY WHEN COMPILING)'
             'perl: needed for demux.pl and xplor2gmx.pl'
@@ -17,7 +17,7 @@ optdepends=('cuda: Nvidia GPU support'
 makedepends=('cmake' 'libxml2' 'hwloc')
 options=('!libtool')
 source=(http://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz)
-sha256sums=('cb708a3e3e83abef5ba475fdb62ef8d42ce8868d68f52dafdb6702dc9742ba1d')
+sha256sums=('fad60d606c02e6164018692c6c9f2c159a9130c2bf32e8c5f4f1b6ba2dda2b68')
 
 export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time
                             #Gromacs will have the ability to read any
@@ -48,9 +48,9 @@ build() {
         -DCMAKE_INSTALL_PREFIX=/usr/ \
         -DCMAKE_INSTALL_LIBDIR=lib\
         -DGMX_BUILD_OWN_FFTW=ON \
+        -DGMX_GPU=CUDA \
         -DREGRESSIONTEST_DOWNLOAD=ON
-  #GMX_GPU: Framework for GPU acceleration. Pick one of: OFF, CUDA, OpenCL, SYCL
-  # -DGMX_GPU=CUDA \
+  #-GMX_GPU: Framework for GPU acceleration. Pick one: OFF, CUDA, OpenCL, SYCL
   make
 }