32 lines
887 B
Python
32 lines
887 B
Python
# Copyright 2013-2023 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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import os
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from spack.package import *
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class Molcas(CMakePackage):
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"""Molcas is an ab initio quantum chemistry software package
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developed by scientists to be used by scientists.
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Please set the path to licence file with the following command
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export MOLCAS_LICENSE=/path/to/molcas/license/"""
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homepage = "https://www.molcas.org/"
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url = "file://{0}/molcas8.2.tar.gz".format(os.getcwd())
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manual_download = True
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version("8.2", "25b5fb8e1338b458a3eaea0b3d3b5e58")
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# Licensing
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license_required = True
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license_vars = ["MOLCAS_LICENSE"]
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depends_on("openmpi")
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depends_on("openblas")
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depends_on("hdf5")
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patch("install_driver.patch")
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