package.py

from spack import *

class BiobbStructureChecking(PythonPackage):
    """Biobb_structure_checking performs a checking of the quality of a 
    3D structure intended to facilitate the setup of molecular dynamics 
    simulation of protein or nucleic acids systems"""

    # Homepage and download url
    homepage = "https://github.com/bioexcel/biobb_structure_checking"
    git = 'https://github.com/bioexcel/biobb_structure_checking.git'

    # Versions
    version('3.12.1', branch='master')

    # Dependencies
    depends_on('py-setuptools')
    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@1.78:1.80', type=('build', 'run'))