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50 lines
1.4 KiB
Bash
50 lines
1.4 KiB
Bash
# Maintainer: Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
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pkgname=quantum-espresso-gpu-svn
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pkgver=216
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_qever=5.0.2
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pkgrel=1
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pkgdesc="Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. Version with GPU acceleration"
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arch=('i686' 'x86_64')
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url="http://qe-forge.org/gf/project/q-e-gpu/"
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license=('GPLv2')
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makedepends=('gcc-fortran' 'blas' 'lapack' 'fftw' 'cuda')
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depends=('quantum-espresso')
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# because needed authorization
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svn import --username=anonymous --password=""
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source=(http://qe-forge.org/gf/download/frsrelease/116/403/espresso-${_qever}.tar.gz
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http://qe-forge.org/gf/download/frsrelease/135/453/QE-GPU-r${pkgver}.tar.gz
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http://qe-forge.org/gf/download/frsrelease/142/452/QE-${_qever}_GPU-r${pkgver}.patch)
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md5sums=('d8b0d7ac3ddbfe0a656ec1501a2a4688'
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'8fdff7841ed54c6ff1a5f501d2b0ca8f'
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'fc74bc210db6c2d88fd8a5f444aab447')
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prepare()
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{
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cp -rf "GPU" "espresso-${_qever}/GPU"
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}
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build()
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{
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# build qe
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cd "espresso-${_qever}"
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./configure
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make all
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patch -p1 -i "${srcdir}/QE-${_qever}_GPU-r${pkgver}.patch"
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# build qe-gpu
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cd "GPU"
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./configure --enable-parallel --enable-openmp --enable-cuda --with-gpu-arch=35 \
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--with-cuda-dir=/opt/cuda --with-phigemm --with-magma
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cd ..
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sed -i "s/python/python2/g" Makefile.gpu
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make -f Makefile.gpu all-gpu
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}
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package()
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{
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msg "done"
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}
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