Skip to content

Commit

Permalink
py-biobb-structure-checking: new package (spack#42580)
Browse files Browse the repository at this point in the history
* 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>
  • Loading branch information
d-beltran and adamjstewart authored Feb 13, 2024
1 parent bd44ced commit ce777e3
Showing 1 changed file with 26 additions and 0 deletions.
Original file line number Diff line number Diff line change
@@ -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"))

0 comments on commit ce777e3

Please sign in to comment.