7b9f8abce5
Add language dependencies `c`, `cxx`, and `fortran`. These `depends_on` statements are auto-generated based on file extensions found in source tarballs/zipfiles. The `# generated` comment can be removed by package maintainers after validating correctness.
60 lines
2.3 KiB
Python
60 lines
2.3 KiB
Python
# Copyright 2013-2024 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.package import *
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class QmdProgress(CMakePackage):
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"""PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic
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Structure Solver.
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This library is focused on the development of general solvers that are
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commonly used in quantum chemistry packages."""
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homepage = "https://qmd-progress.readthedocs.io/"
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url = "https://github.com/lanl/qmd-progress/archive/refs/tags/v1.2.0.tar.gz"
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git = "https://github.com/lanl/qmd-progress.git"
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maintainers("jeanlucf22")
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version("master", branch="master")
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version("1.2.0", sha256="d41708f0e9c12d0e421a9fa883f8b12478cf4faa7453703143f32c093626638e")
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version("1.1.0", sha256="757d2606d7b7f38e7f8f491bf7369b88de55062bae0b12a9928f0a5acae993bd")
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version("1.0.0", sha256="eed87e68b4a1533a3ed70c1662feca4ac890b985f3326fc94522c2f71f198fdc")
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depends_on("c", type="build") # generated
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depends_on("fortran", type="build") # generated
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variant("graphlib", default=False, description="Build with Metis Suppport")
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variant("mpi", default=True, description="Build with MPI Support")
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variant("shared", default=True, description="Build shared libs")
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variant("benchmarks", default=True, description="Build with benchmark drivers")
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depends_on("bml")
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depends_on("mpi", when="+mpi")
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depends_on("metis", when="+graphlib")
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def cmake_args(self):
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spec = self.spec
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args = ["-DCMAKE_Fortran_FLAGS=-ffree-line-length-none"]
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if "+shared" in spec:
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args.append("-DBUILD_SHARED_LIBS=ON")
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else:
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args.append("-DBUILD_SHARED_LIBS=OFF")
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if "+mpi" in spec:
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args.append("-DPROGRESS_MPI=yes")
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args.append("-DCMAKE_C_COMPILER=%s" % spec["mpi"].mpicc)
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args.append("-DCMAKE_CXX_COMPILER=%s" % spec["mpi"].mpicxx)
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args.append("-DCMAKE_Fortran_COMPILER=%s" % spec["mpi"].mpifc)
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else:
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args.append("-DPROGRESS_MPI=no")
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if "+graphlib" in spec:
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args.append("-DPROGRESS_GRAPHLIB=yes")
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else:
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args.append("-DPROGRESS_GRAPHLIB=no")
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if "+benchmarks" in spec:
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args.append("-DPROGRESS_BENCHMARKS=yes")
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return args
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