87 lines
3.6 KiB
Python
87 lines
3.6 KiB
Python
##############################################################################
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# Copyright (c) 2018, Los Alamos National Security, LLC
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# Produced at the Los Alamos National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/spack/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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class Examinimd(MakefilePackage):
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"""ExaMiniMD is a proxy application and research vehicle for particle codes,
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in particular Molecular Dynamics (MD). Compared to previous MD proxy apps
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(MiniMD, COMD), its design is significantly more modular in order to allow
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independent investigation of different aspects. To achieve that the main
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components such as force calculation, communication, neighbor list
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construction and binning are derived classes whose main functionality is
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accessed via virtual functions. This allows a developer to write a new
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derived class and drop it into the code without touching much of the
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rest of the application."""
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tags = ['proxy-app', 'ecp-proxy-app']
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homepage = "https://github.com/ECP-copa/ExaMiniMD"
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url = "https://github.com/ECP-copa/ExaMiniMD/archive/1.0.zip"
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git = "https://github.com/ECP-copa/ExaMiniMD.git"
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version('develop', branch='master')
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version('1.0', '5db7679a4b9296c0cc3b2ff3a7e8f38f')
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variant('mpi', default=True, description='Build with MPI support')
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variant('openmp', default=False, description='Build with OpenMP support')
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variant('pthreads', default=False, description='Build with POSIX Threads support')
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# TODO: Set up cuda variant when test machine available
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conflicts('+openmp', when='+pthreads')
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depends_on('kokkos')
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depends_on('mpi', when='+mpi')
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@property
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def build_targets(self):
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targets = []
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# Append Kokkos
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targets.append('KOKKOS_PATH={0}'.format(self.spec['kokkos'].prefix))
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# Set kokkos device
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if 'openmp' in self.spec:
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targets.append('KOKKOS_DEVICES=OpenMP')
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elif 'pthreads' in self.spec:
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targets.append('KOKKOS_DEVICES=Pthread')
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else:
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targets.append('KOKKOS_DEVICES=Serial')
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# Set MPI as needed
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if '+mpi' in self.spec:
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targets.append('MPI=1')
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targets.append('CXX = {0}'.format(self.spec['mpi'].mpicxx))
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else:
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targets.append('MPI=0')
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targets.append('CXX = {0}'.format('spack_cxx'))
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return targets
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def install(self, spec, prefix):
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mkdirp(prefix.bin)
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install('src/ExaMiniMD', prefix.bin)
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install_tree('input', prefix.input)
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mkdirp(prefix.doc)
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install('README.md', prefix.doc)
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install('LICENSE', prefix.doc)
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