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# Copyright 2013-2022 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 QmdProgress(CMakePackage):
"""PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic
Structure Solver.
This library is focused on the development of general solvers that are
commonly used in quantum chemistry packages."""
homepage = "https://github.com/lanl/qmd-progress"
url = "https://github.com/lanl/qmd-progress/tarball/v1.1.0"
git = "https://github.com/lanl/qmd-progress.git"
version("develop", branch="master")
version("1.1.0", sha256="2c5eac252067bfb55d715c9ce5de2e4306b20b4273979dda15b4a2f71f69bb0b")
version("1.0.0", sha256="28c99eb80d9a6b09e1d01d61538b3b924850d89c6a8bfb5d3e8b6490be822296")
variant("graphlib", default=False, description="Build with Metis Suppport")
variant("mpi", default=True, description="Build with MPI Support")
variant("shared", default=True, description="Build shared libs")
depends_on("bml")
depends_on("mpi", when="+mpi")
depends_on("metis", when="+graphlib")
def cmake_args(self):
spec = self.spec
args = ["-DCMAKE_Fortran_FLAGS=-ffree-line-length-none"]
if "+shared" in spec:
args.append("-DBUILD_SHARED_LIBS=ON")
else:
args.append("-DBUILD_SHARED_LIBS=OFF")
if "+mpi" in spec:
args.append("-DPROGRESS_MPI=yes")
args.append("-DCMAKE_C_COMPILER=%s" % spec["mpi"].mpicc)
args.append("-DCMAKE_CXX_COMPILER=%s" % spec["mpi"].mpicxx)
args.append("-DCMAKE_Fortran_COMPILER=%s" % spec["mpi"].mpifc)
else:
args.append("-DPROGRESS_MPI=no")
if "+graphlib" in spec:
args.append("-DPROGRESS_GRAPHLIB=yes")
else:
args.append("-DPROGRESS_GRAPHLIB=no")
return args
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