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py-biobb-structure-checking: new package (#42580)

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* new builtin package: py-biobb-structure-checking

* Update var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

* dependencies are also build dependencies

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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Dani 2024-02-13 17:05:37 +01:00 committed by GitHub
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commit ce777e3c89
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# Copyright 2013-2024 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)
from spack.package import *
class PyBiobbStructureChecking(PythonPackage):
"""Biobb_structure_checking provides a series of functions
to check the quality of a 3D structure intended to facilitate
the setup of a molecular dynamics simulation of protein or nucleic acids systems"""
pypi = "biobb_structure_checking/biobb_structure_checking-3.14.4.tar.gz"
maintainers("d-beltran")
# Versions
version("3.13.4", sha256="d819819d13c7ad219411b70b043555dcd65d5535f696a1121db562646931f445")
# Dependencies
depends_on("py-setuptools", type="build")
depends_on("python@3.8:", type=("build", "run"))
depends_on("py-psutil", type=("build", "run"))
depends_on("py-numpy", type=("build", "run"))
depends_on("py-biopython@1.79:", type=("build", "run"))