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| -rw-r--r-- | var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py | 26 |
1 files changed, 26 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py b/var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py new file mode 100644 index 0000000000..e67b4d089e --- /dev/null +++ b/var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py @@ -0,0 +1,26 @@ +# 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")) |