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# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
import glob
class Exasp2(MakefilePackage):
"""ExaSP2 is a reference implementation of typical linear algebra algorithms
and workloads for a quantum molecular dynamics (QMD) electronic structure
code. The algorithm is based on a recursive second-order Fermi-Operator
expansion method (SP2) and is tailored for density functional based
tight-binding calculations of material systems. The SP2 algorithm variants
are part of the Los Alamos Transferable Tight-binding for Energetics
(LATTE) code, based on a matrix expansion of the Fermi operator in a
recursive series of generalized matrix-matrix multiplications. It is
created and maintained by Co-Design Center for Particle Applications
(CoPA). The code is intended to serve as a vehicle for co-design by
allowing others to extend and/or reimplement as needed to test performance
of new architectures, programming models, etc."""
tags = ['proxy-app']
homepage = "https://github.com/ECP-copa/ExaSP2"
url = "https://github.com/ECP-copa/ExaSP2/tarball/v1.0"
git = "https://github.com/ECP-copa/ExaSP2.git"
version('develop', branch='master')
version('1.0', 'dba545995acc73f2bd1101bcb377bff5')
variant('mpi', default=True, description='Build With MPI Support')
depends_on('bml')
depends_on('blas')
depends_on('lapack')
depends_on('mpi', when='+mpi')
depends_on('bml@1.2.3:+mpi', when='+mpi')
build_directory = 'src'
@property
def build_targets(self):
targets = []
spec = self.spec
if '+mpi' in spec:
targets.append('PARALLEL=MPI')
targets.append('MPICC={0}'.format(spec['mpi'].mpicc))
targets.append('MPI_LIB=-L' + spec['mpi'].prefix.lib + ' -lmpi')
targets.append('MPI_INCLUDE=-I' + spec['mpi'].prefix.include)
else:
targets.append('PARALLEL=NONE')
# NOTE: no blas except for mkl has been properly tested. OpenBlas was
# briefly but not rigoruously tested. Using generic blas approach to
# meet Spack requirements
targets.append('BLAS=GENERIC_SPACKBLAS')
math_libs = str(spec['lapack'].libs)
math_libs += ' ' + str(spec['lapack'].libs)
targets.append('SPACKBLASLIBFLAGS=' + math_libs)
math_includes = spec['lapack'].prefix.include
math_includes += " -I" + spec['blas'].prefix.include
targets.append('SPACKBLASINCLUDES=' + math_includes)
# And BML
bml_lib_dirs = spec['bml'].libs.directories[0]
targets.append('BML_PATH=' + bml_lib_dirs)
targets.append('--file=Makefile.vanilla')
return targets
def install(self, spec, prefix):
mkdir(prefix.bin)
mkdir(prefix.doc)
for files in glob.glob('bin/ExaSP2-*'):
install(files, prefix.bin)
install('LICENSE.md', prefix.doc)
install('README.md', prefix.doc)
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