d51af675ef
- [x] Replace `version(ver, checksum=None, **kwargs)` signature with
`version(ver, checksum=None, *, sha256=..., ...)` explicitly listing all arguments.
- [x] Fix various issues in packages:
- `tags` instead of `tag`
- `default` instead of `preferred`
- `sha26` instead of `sha256`
- etc
Also, use `sha256=...` consistently.
Note: setting `sha256` currently doesn't validate the checksum length, so you could do
`sha256="a"*32` and it would get checked as `md5`... but that's something for another PR.
28 lines
1.1 KiB
Python
28 lines
1.1 KiB
Python
# Copyright 2013-2022 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.package import *
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class PyScineChemoton(PythonPackage):
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"""Software driving the automated exploration of chemical reaction networks"""
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homepage = "https://scine.ethz.ch/download/chemoton"
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pypi = "scine_chemoton/scine_chemoton-2.2.0.tar.gz"
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git = "https://github.com/qcscine/puffin.git"
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version("master", branch="master")
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version("2.2.0", sha256="cda4f9de1e1c00ecc5e0b2d9c17a5edb56b468d454022e3f4045ec116ba2ec45")
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depends_on("python@3.6:", type=("build", "run"))
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depends_on("py-networkx", type=("build", "run"))
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depends_on("py-numpy", type=("build", "run"))
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depends_on("py-scipy", type=("build", "run"))
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depends_on("py-setproctitle", type=("build", "run"))
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depends_on("py-setuptools", type="build")
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depends_on("scine-database+python", type=("build", "run"))
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depends_on("scine-molassembler+python", type=("build", "run"))
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depends_on("scine-utilities+python", type=("build", "run"))
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