eea786f4e8
- remove the old LGPL license headers from all files in Spack - add SPDX headers to all files - core and most packages are (Apache-2.0 OR MIT) - a very small number of remaining packages are LGPL-2.1-only
77 lines
3.1 KiB
Python
77 lines
3.1 KiB
Python
# Copyright 2013-2018 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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import glob
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class Exasp2(MakefilePackage):
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"""ExaSP2 is a reference implementation of typical linear algebra algorithms
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and workloads for a quantum molecular dynamics (QMD) electronic structure
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code. The algorithm is based on a recursive second-order Fermi-Operator
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expansion method (SP2) and is tailored for density functional based
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tight-binding calculations of material systems. The SP2 algorithm variants
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are part of the Los Alamos Transferable Tight-binding for Energetics
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(LATTE) code, based on a matrix expansion of the Fermi operator in a
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recursive series of generalized matrix-matrix multiplications. It is
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created and maintained by Co-Design Center for Particle Applications
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(CoPA). The code is intended to serve as a vehicle for co-design by
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allowing others to extend and/or reimplement as needed to test performance
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of new architectures, programming models, etc."""
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tags = ['proxy-app']
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homepage = "https://github.com/ECP-copa/ExaSP2"
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url = "https://github.com/ECP-copa/ExaSP2/tarball/v1.0"
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git = "https://github.com/ECP-copa/ExaSP2.git"
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version('develop', branch='master')
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version('1.0', 'dba545995acc73f2bd1101bcb377bff5')
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variant('mpi', default=True, description='Build With MPI Support')
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depends_on('bml')
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depends_on('blas')
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depends_on('lapack')
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depends_on('mpi', when='+mpi')
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depends_on('bml@1.2.3:+mpi', when='+mpi')
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build_directory = 'src'
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@property
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def build_targets(self):
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targets = []
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spec = self.spec
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if '+mpi' in spec:
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targets.append('PARALLEL=MPI')
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targets.append('MPICC={0}'.format(spec['mpi'].mpicc))
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targets.append('MPI_LIB=-L' + spec['mpi'].prefix.lib + ' -lmpi')
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targets.append('MPI_INCLUDE=-I' + spec['mpi'].prefix.include)
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else:
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targets.append('PARALLEL=NONE')
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# NOTE: no blas except for mkl has been properly tested. OpenBlas was
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# briefly but not rigoruously tested. Using generic blas approach to
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# meet Spack requirements
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targets.append('BLAS=GENERIC_SPACKBLAS')
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math_libs = str(spec['lapack'].libs)
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math_libs += ' ' + str(spec['lapack'].libs)
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targets.append('SPACKBLASLIBFLAGS=' + math_libs)
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math_includes = spec['lapack'].prefix.include
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math_includes += " -I" + spec['blas'].prefix.include
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targets.append('SPACKBLASINCLUDES=' + math_includes)
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# And BML
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bml_lib_dirs = spec['bml'].libs.directories[0]
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targets.append('BML_PATH=' + bml_lib_dirs)
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targets.append('--file=Makefile.vanilla')
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return targets
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def install(self, spec, prefix):
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mkdir(prefix.bin)
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mkdir(prefix.doc)
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for files in glob.glob('bin/ExaSP2-*'):
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install(files, prefix.bin)
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install('LICENSE.md', prefix.doc)
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install('README.md', prefix.doc)
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