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()