diff --git a/var/spack/repos/builtin/packages/py-biobb-structure-utils/package.py b/var/spack/repos/builtin/packages/py-biobb-structure-utils/package.py new file mode 100644 index 0000000000..aabc475fc0 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-biobb-structure-utils/package.py @@ -0,0 +1,25 @@ +# 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 PyBiobbStructureUtils(PythonPackage): + """Biobb_structure_utils is the Biobb module collection to modify or extract information + from a PDB structure file, such as pulling out a particular model or chain, removing water + molecules or ligands, or renumbering or sorting atoms or residues""" + + pypi = "biobb_structure_utils/biobb_structure_utils-4.1.0.tar.gz" + + maintainers("d-beltran") + + # Versions + version("4.1.0", sha256="07c6268e2f40de595325aaf88839dd180950ba5bd7e51acbf726a9b982fe69cd") + + # Dependencies + depends_on("py-setuptools", type="build") + depends_on("python@3.8:", type=("build", "run")) + depends_on("py-biobb-common@4.1.0", type=("build", "run")) + depends_on("py-biobb-structure-checking@3.13.4", type=("build", "run"))