37 lines
1.1 KiB
Python
37 lines
1.1 KiB
Python
# Copyright Spack Project Developers. See 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 Adf(Package):
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"""Amsterdam Density Functional (ADF) is a program for first-principles
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electronic structure calculations that makes use of density functional
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theory."""
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homepage = "https://www.scm.com/product/adf/"
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manual_download = True
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version("2017.113", sha256="666ef15d253b74c707dd14da35e7cf283ca20e21e24ed43cb953fb9d1f2f1e15")
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def url_for_version(self, version):
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return f"file://{os.getcwd()}/adf/adf{version}.pc64_linux.openmpi.bin.tgz"
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# Licensing
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license_required = True
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license_files = ["license.txt"]
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license_vars = ["SCMLICENSE"]
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def setup_run_environment(self, env):
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env.set("ADFHOME", self.prefix)
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env.set("ADFBIN", self.prefix.bin)
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env.set("ADFRESOURCES", self.prefix.atomicdata)
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env.set("SCMLICENSE", join_path(self.prefix, "license.txt"))
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env.set("SCM_TMPDIR", "/tmp")
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def install(self, spec, prefix):
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install_tree(".", prefix)
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