62927654dd
We'd like to use a consistent checksum scheme everywhere so that we can:
a) incorporate archive checksums into our specs and have a
consistent hashing algorithm across all specs.
b) index mirrors with a consistent type of checksum, and not one that
is dependent on how spack packages are written.
- [x] convert existing md5, sha224, sha512, sha1 checksums to sha256
93 lines
3.4 KiB
Python
93 lines
3.4 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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from spack import *
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class Comd(MakefilePackage):
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"""CoMD is a reference implementation of classical molecular dynamics
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algorithms and workloads as used in materials science. It is created and
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maintained by The Exascale Co-Design Center for Materials in Extreme
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Environments (ExMatEx). The code is intended to serve as a vehicle for
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co-design by allowing others to extend and/or reimplement it as needed to
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test performance of new architectures, programming models, etc. New
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versions of CoMD will be released to incorporate the lessons learned from
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the co-design process."""
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tags = ['proxy-app']
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homepage = "http://www.exmatex.org/comd.html"
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url = "https://github.com/ECP-copa/CoMD/archive/v1.1.tar.gz"
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git = "https://github.com/ECP-copa/CoMD.git"
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version('develop', branch='master')
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version('1.1', sha256='4e85f86f043681a1ef72940fc24a4c71356a36afa45446f7cfe776abad6aa252')
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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('precision', default=True, description='Toggle Precesion Options')
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variant('graphs', default=False, description='Enable graph visuals')
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depends_on('mpi', when='+mpi')
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depends_on('graphviz', when='+graphs')
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conflicts('+openmp', when='+mpi')
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def edit(self, spec, prefix):
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with working_dir('src-mpi') or working_dir('src-openmp'):
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copy('Makefile.vanilla', 'Makefile')
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@property
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def build_targets(self):
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targets = []
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cflags = ' -std=c99 '
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optflags = ' -g -O5 '
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clib = ' -lm '
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comd_variant = 'CoMD'
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cc = spack_cc
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if '+openmp' in self.spec:
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targets.append('--directory=src-openmp')
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comd_variant += '-openmp'
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cflags += ' -fopenmp '
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if '+mpi' in self.spec:
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comd_variant += '-mpi'
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targets.append('CC = {0}'.format(self.spec['mpi'].mpicc))
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else:
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targets.append('CC = {0}'.format('spack_cc'))
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else:
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targets.append('--directory=src-mpi')
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if '~mpi' in self.spec:
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comd_variant += '-serial'
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targets.append('CC = {0}'.format(cc))
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else:
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comd_variant += '-mpi'
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targets.append('CC = {0}'.format(self.spec['mpi'].mpicc))
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if '+mpi' in self.spec:
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cflags += '-DDO_MPI'
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targets.append(
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'INCLUDES = {0}'.format(self.spec['mpi'].prefix.include))
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if '+precision' in self.spec:
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cflags += ' -DDOUBLE '
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else:
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cflags += ' -DSINGLE '
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targets.append('CoMD_VARIANT = {0}'.format(comd_variant))
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targets.append('CFLAGS = {0}'.format(cflags))
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targets.append('OPTFLAGS = {0}'.format(optflags))
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targets.append('C_LIB = {0}'.format(clib))
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return targets
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def install(self, spec, prefix):
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install_tree('bin', prefix.bin)
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install_tree('examples', prefix.examples)
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install_tree('pots', prefix.pots)
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mkdirp(prefix.doc)
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install('README.md', prefix.doc)
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install('LICENSE.md', prefix.doc)
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