Added qsmmp

quantum-espresso-gpu/PKGBUILD--

@@ -0,0 +1,42 @@
+# Maintainer: Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
+
+pkgname=quantum-espresso-gpu
+pkgver=216
+_qever=5.0.2
+pkgrel=1
+pkgdesc="Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. Version with GPU acceleration"
+arch=('any')
+url="http://qe-forge.org/gf/project/q-e-gpu/"
+license=('GPLv2')
+makedepends=('gcc-fortran' 'blas' 'lapack' 'fftw' 'cuda')
+depends=('quantum-espresso')
+source=(http://qe-forge.org/gf/download/frsrelease/135/453/QE-GPU-r${pkgver}.tar.gz
+        http://qe-forge.org/gf/download/frsrelease/116/403/espresso-${_qever}.tar.gz
+        http://qe-forge.org/gf/download/frsrelease/142/452/QE-5.0.2_GPU-r${pkgver}.patch)
+md5sums=('8fdff7841ed54c6ff1a5f501d2b0ca8f'
+         'd8b0d7ac3ddbfe0a656ec1501a2a4688'
+         'fc74bc210db6c2d88fd8a5f444aab447')
+
+build()
+{
+  cd ${srcdir}/espresso-${_qever}
+  ./configure
+  make all
+  
+  if [ -d ${srcdir}/espresso-${_qever}/GPU ]; then
+    rm -rf ${srcdir}/espresso-${_qever}/GPU
+  fi
+  mv ${srcdir}/GPU ${srcdir}/espresso-${_qever}/GPU
+  cd ${srcdir}/espresso-${_qever}/GPU
+  ./configure --enable-cuda --with-gpu-arch=35 --with-cuda-dir=/opt/cuda \
+              --enable-magma --enable-parallel
+  cd ${srcdir}/espresso-${_qever}/
+  sed -i "s/python/python2/g" Makefile.gpu
+  make -f Makefile.gpu all-gpu
+}
+
+package()
+{
+  msg "done"
+}
+