58 lines
1.6 KiB
Python
58 lines
1.6 KiB
Python
# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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import glob
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import tarfile
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from spack import *
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class Minimd(MakefilePackage):
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"""Proxy Application. A simple proxy for the force computations
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in a typical molecular dynamics applications.
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"""
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homepage = "http://mantevo.org"
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url = "http://mantevo.org/downloads/releaseTarballs/miniapps/MiniMD/miniMD_1.2.tgz"
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tags = ['proxy-app']
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version('1.2', '893ef1ca5062e32b43a8d11bcfe1a056')
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depends_on('mpi')
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build_directory = 'miniMD_ref'
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@property
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def build_targets(self):
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targets = [
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'LINK={0}'.format(self.spec['mpi'].mpicxx),
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'CC={0}'.format(self.spec['mpi'].mpicxx),
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'CCFLAGS={0} -DMPICH_IGNORE_CXX_SEEK -DNOCHUNK'.format(
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self.compiler.openmp_flag),
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'EXE=miniMD_mpi',
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'openmpi'
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]
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return targets
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def edit(self, spec, prefix):
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inner_tar = tarfile.open(name='miniMD_{0}_ref.tgz'.format(
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self.version.up_to(2)))
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inner_tar.extractall()
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def install(self, spec, prefix):
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# Manual Installation
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mkdirp(prefix.bin)
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mkdirp(prefix.doc)
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install('miniMD_ref/miniMD_mpi', prefix.bin)
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install('miniMD_ref/in.lj.miniMD', prefix.bin)
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install('miniMD_ref/README', prefix.doc)
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for f in glob.glob('miniMD_ref/in.*'):
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install(f, prefix.doc)
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