Source code for pymatgen.cli.get_environment

#!/usr/bin/env python

"""
Implementation for get_environment CLI.
"""

import logging
from argparse import ArgumentParser

from pymatgen.analysis.chemenv.utils.chemenv_config import ChemEnvConfig
from pymatgen.analysis.chemenv.utils.scripts_utils import (
    compute_environments,
    thankyou,
    welcome,
)

__author__ = "waroquiers"


[docs]def main(): """ Main function. """ m_description = "Welcome to the Chemical Environment Package." parser = ArgumentParser(description=m_description) setup_help = "Used to setup the configuration of the package " setup_help += "(MaterialsProject access, ICSD database access, package options, ...)" parser.add_argument("-s", "--setup", help=setup_help, action="store_true") parser.add_argument( "-m", "--message-level", help="Message level (DEBUG, INFO, WARNING, ERROR or CRITICAL - " "default : WARNING)", default="WARNING", ) args = parser.parse_args() if args.setup: chemenv_config = ChemEnvConfig.auto_load() chemenv_config.setup() print("\n Setup completed") else: chemenv_config = ChemEnvConfig.auto_load() welcome(chemenv_config) logging.basicConfig( format="%(levelname)s:%(module)s:%(funcName)s:%(message)s", level=args.message_level, ) compute_environments(chemenv_config) thankyou()
if __name__ == "__main__": main()