316a9a5d11
* new builtin package: py-biobb-gromacs * Update var/spack/repos/builtin/packages/py-biobb-gromacs/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * added setuptools dependency --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
25 lines
812 B
Python
25 lines
812 B
Python
# Copyright 2013-2024 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 PyBiobbGromacs(PythonPackage):
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"""Biobb_gromacs is the Biobb module collection to perform
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molecular dynamics simulations using the GROMACS MD suite"""
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pypi = "biobb_gromacs/biobb_gromacs-4.1.1.tar.gz"
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maintainers("d-beltran")
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# Versions
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version("4.1.1", sha256="270cce747fc214471527438c8319bda0613be5b76da9f4684e6f138d1927d2f7")
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# Dependencies
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depends_on("py-setuptools", type="build")
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depends_on("python@3.8:", type=("build", "run"))
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depends_on("py-biobb-common@4.1.0", type=("build", "run"))
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depends_on("gromacs", type=("run"))
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