a8ccb8e116
- [x] add `concretize.lp`, `spack.yaml`, etc. to licensed files
- [x] update all licensed files to say 2013-2021 using
`spack license update-copyright-year`
- [x] appease mypy with some additions to package.py that needed
for oneapi.py
39 lines
1.5 KiB
Python
39 lines
1.5 KiB
Python
# Copyright 2013-2021 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 import *
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class Dftd3Lib(MakefilePackage):
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"""A dispersion correction for density functionals,
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Hartree-Fock and semi-empirical quantum chemical methods"""
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homepage = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dft-d3"
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url = "https://github.com/dftbplus/dftd3-lib/archive/0.9.2.tar.gz"
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version('0.9.2', sha256='4178f3cf2f3e7e982a7084ec66bac92b4fdf164537d9fc0ada840a11b784f0e0')
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# This fixes a concurrency bug, where make would try to start compiling
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# the dftd3 target before the lib target ended.
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# Since the library is small, disabling causes not much harm
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parallel = False
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def edit(self, spec, prefix):
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makefile = FileFilter('make.arch')
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makefile.filter("FC = gfortran", "")
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makefile.filter("LN = gfortran", "LN = $(FC)")
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def install(self, spec, prefix):
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mkdir(prefix.lib)
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mkdir(prefix.bin)
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mkdir(prefix.include)
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install("lib/libdftd3.a", prefix.lib)
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install("prg/dftd3", prefix.bin)
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install("lib/dftd3_api.mod", prefix.include)
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install("lib/dftd3_common.mod", prefix.include)
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install("lib/dftd3_core.mod", prefix.include)
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install("lib/dftd3_pars.mod", prefix.include)
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install("lib/dftd3_sizes.mod", prefix.include)
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