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# Copyright 2013-2023 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 Latte(CMakePackage):
"""Open source density functional tight binding molecular dynamics."""
homepage = "https://github.com/lanl/latte"
url = "https://github.com/lanl/latte/tarball/v1.2.1"
git = "https://github.com/lanl/latte.git"
tags = ["ecp", "ecp-apps"]
version("master", branch="master")
version("1.2.2", sha256="ab1346939dbd70ffd89c5e5bf8d24946cb3655dc25b203bec7fc59c6c63e4c79")
version("1.2.1", sha256="a21dda5ebdcefa56e9ff7296d74ef03f89c200d2e110a02af7a84612668bf702")
version("1.0.1", sha256="67b2957639ad8e36b69bc6ea9a13085183a881562af9ca6d2b90b412ff073789")
variant("mpi", default=True, description="Build with mpi")
variant("progress", default=False, description="Use progress for fast")
variant("shared", default=True, description="Build shared libs")
depends_on("cmake@3.1:", type="build")
depends_on("blas")
depends_on("lapack")
depends_on("mpi", when="+mpi")
depends_on("qmd-progress", when="+progress")
root_cmakelists_dir = "cmake"
def cmake_args(self):
options = []
if "+shared" in self.spec:
options.append("-DBUILD_SHARED_LIBS=ON")
else:
options.append("-DBUILD_SHARED_LIBS=OFF")
if "+mpi" in self.spec:
options.append("-DO_MPI=yes")
if "+progress" in self.spec:
options.append("-DPROGRESS=yes")
blas_list = ";".join(self.spec["blas"].libs)
lapack_list = ";".join(self.spec["lapack"].libs)
options.append("-DBLAS_LIBRARIES={0}".format(blas_list))
options.append("-DLAPACK_LIBRARIES={0}".format(lapack_list))
return options
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