new builtin package: py-biobb-structure-utils (#42683)

1 files changed, 25 insertions, 0 deletions

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"))