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# Copyright 2013-2024 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.package import *
class Cosp2(MakefilePackage):
"""Proxy Application. CoSP2 represents a sparse linear algebra
parallel algorithm for calculating the density matrix in electronic
tructure theory. 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 non-metallic systems.
"""
tags = ["proxy-app"]
homepage = "http://www.exmatex.org/cosp2.html"
git = "https://github.com/exmatex/CoSP2.git"
version("master", branch="master")
variant("double", default=True, description="Build with double precision.")
variant("mpi", default=True, description="Build with MPI Support")
depends_on("mpi", when="+mpi")
build_directory = "src-mpi"
def edit(self, spec, prefix):
cc = spack_cc
if "+mpi" in spec:
cc = spec["mpi"].mpicc
with working_dir(self.build_directory):
makefile = FileFilter("Makefile.vanilla")
makefile.filter(r"^CC\s*=.*", "CC = {0}".format(cc))
if "+double" in spec:
filter_file("DOUBLE_PRECISION = O.*", "DOUBLE_PRECISION = OFF", "Makefile.vanilla")
copy("Makefile.vanilla", "Makefile")
def install(self, spec, prefix):
install_tree("bin/", prefix.bin)
install_tree("examples/", prefix.examples)
install_tree("doc/", prefix.doc)
install("src-mpi/Doxyfile", prefix.doc)
install("README.md", prefix.doc)
install("LICENSE.md", prefix.doc)
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