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