zhangyiss/spack
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
This commit is contained in:
Dani 2024-02-17 21:42:10 +01:00 committed by GitHub
parent 6e2ec2950b
commit aeec515b4f
No known key found for this signature in database
GPG Key ID: B5690EEEBB952194
1 changed files with 25 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

25
var/spack/repos/builtin/packages/py-biobb-structure-utils/package.py Normal file
View File

@ -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"))