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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 Molcas(CMakePackage):
"""Molcas is an ab initio quantum chemistry software package
developed by scientists to be used by scientists.
Please set the path to licence file with the following command
export MOLCAS_LICENSE=/path/to/molcas/license/"""
homepage = "https://www.molcas.org/"
url = "file://{0}/molcas8.2.tar.gz".format(os.getcwd())
manual_download = True
version("8.2", md5="25b5fb8e1338b458a3eaea0b3d3b5e58")
# Licensing
license_required = True
license_vars = ["MOLCAS_LICENSE"]
depends_on("openmpi")
depends_on("openblas")
depends_on("hdf5")
patch("install_driver.patch")
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