def main():
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()
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()
def run_script():
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')
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()