cmd

cmd

Functions for starting KIMMDY either from python or the command line. Other entry points such as kimmdy-analysis also live here.

Functions

Name	Description
configure_logger	Configure logging.
entry_point_kimmdy	Run KIMMDY from the command line.
get_cmdline_args	Parse command line arguments.
kimmdy_run	Run KIMMDY from python.

configure_logger

cmd.configure_logger(config)

Configure logging.

Parameters

Name	Type	Description	Default
config	Config	configuration that contains log.level and log.file	required

entry_point_kimmdy

cmd.entry_point_kimmdy()

Run KIMMDY from the command line.

The configuration is gathered from the input file, which is kimmdy.yml by default. See get_cmdline_args or kimmdy --help for the descriptions of the arguments.

get_cmdline_args

cmd.get_cmdline_args()

Parse command line arguments.

Returns

Type	Description
Parsed command line arguments

kimmdy_run

cmd.kimmdy_run(input=Path('kimmdy.yml'), loglevel=None, logfile=None, show_plugins=False, generate_jobscript=False, debug=False, callgraph=False)

Run KIMMDY from python.

Also see See get_cmdline_args or kimmdy --help for the descriptions of the arguments.

Parameters

Name	Type	Description	Default
input	Path	kimmdy input yml file.	Path('kimmdy.yml')
loglevel	Optional[str]	Loglevel. One of [“INFO”, “WARNING”, “MESSAGE”, “DEBUG”]	None
logfile	Optional[Path]	File path of the logfile.	None
show_plugins	bool	Show available plugins and exit.	False
generate_jobscript	bool	Instead of running KIMMDY directly, generate at jobscript.sh for slurm HPC clusters	False