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43 lines
1.4 KiB
Plaintext
43 lines
1.4 KiB
Plaintext
# Maintainer: Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
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pkgname=quantum-espresso-gpu
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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=('any')
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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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source=(http://qe-forge.org/gf/download/frsrelease/135/453/QE-GPU-r${pkgver}.tar.gz
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http://qe-forge.org/gf/download/frsrelease/116/403/espresso-${_qever}.tar.gz
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http://qe-forge.org/gf/download/frsrelease/142/452/QE-5.0.2_GPU-r${pkgver}.patch)
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md5sums=('8fdff7841ed54c6ff1a5f501d2b0ca8f'
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'd8b0d7ac3ddbfe0a656ec1501a2a4688'
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'fc74bc210db6c2d88fd8a5f444aab447')
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build()
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{
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cd ${srcdir}/espresso-${_qever}
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./configure
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make all
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if [ -d ${srcdir}/espresso-${_qever}/GPU ]; then
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rm -rf ${srcdir}/espresso-${_qever}/GPU
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fi
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mv ${srcdir}/GPU ${srcdir}/espresso-${_qever}/GPU
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cd ${srcdir}/espresso-${_qever}/GPU
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./configure --enable-cuda --with-gpu-arch=35 --with-cuda-dir=/opt/cuda \
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--enable-magma --enable-parallel
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cd ${srcdir}/espresso-${_qever}/
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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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