deepmd.main

The entry points for DeePMD-kit.

If only printing the help message, this module does not call the main DeePMD-kit module to avoid the slow import of TensorFlow.

Module Contents

Classes

RawTextArgumentDefaultsHelpFormatter

This formatter is used to print multile-line help message with default value.

BackendOption

Map backend alias to unique name.

DeprecateAction

Information about how to convert command line strings to Python objects.

Functions

get_ll(→ int)

Convert string to python logging level.

main_parser(→ argparse.ArgumentParser)

DeePMD-Kit commandline options argument parser.

parse_args(→ argparse.Namespace)

Parse arguments and convert argument strings to objects.

main()

DeePMD-kit new entry point.

Attributes

__version__

BACKENDS

BACKEND_TABLE

deepmd.main.__version__ = 'unknown'[source]
deepmd.main.get_ll(log_level: str) → int[source]

Convert string to python logging level.

Parameters:
log_levelstr

allowed input values are: DEBUG, INFO, WARNING, ERROR, 3, 2, 1, 0

Returns:
int

one of python logging module log levels - 10, 20, 30 or 40

class deepmd.main.RawTextArgumentDefaultsHelpFormatter(prog, indent_increment=2, max_help_position=24, width=None)[source]

Bases: argparse.RawTextHelpFormatter, argparse.ArgumentDefaultsHelpFormatter

This formatter is used to print multile-line help message with default value.

deepmd.main.BACKENDS: Dict[str, Type[deepmd.backend.backend.Backend]][source]
deepmd.main.BACKEND_TABLE: Dict[str, str][source]
class deepmd.main.BackendOption(option_strings, dest, nargs=None, const=None, default=None, type=None, choices=None, required=False, help=None, metavar=None)[source]

Bases: argparse.Action

Map backend alias to unique name.

__call__(parser, namespace, values, option_string=None)[source]
class deepmd.main.DeprecateAction(*args, **kwargs)[source]

Bases: argparse.Action

Information about how to convert command line strings to Python objects.

Action objects are used by an ArgumentParser to represent the information needed to parse a single argument from one or more strings from the command line. The keyword arguments to the Action constructor are also all attributes of Action instances.

Keyword Arguments:

  • which (- option_strings -- A list of command-line option strings) – should be associated with this action.

  • object (- dest -- The name of the attribute to hold the created)

  • be (- nargs -- The number of command-line arguments that should) –

    consumed. By default, one argument will be consumed and a single value will be produced. Other values include:

    • N (an integer) consumes N arguments (and produces a list)

    • ’?’ consumes zero or one arguments

    • ’*’ consumes zero or more arguments (and produces a list)

    • ’+’ consumes one or more arguments (and produces a list)

    Note that the difference between the default and nargs=1 is that with the default, a single value will be produced, while with nargs=1, a list containing a single value will be produced.

  • the (- metavar -- The name to be used for the option's argument with) – option uses an action that takes no values.

  • specified. (- default -- The value to be produced if the option is not)

  • and (- type -- A callable that accepts a single string argument,) – returns the converted value. The standard Python types str, int, float, and complex are useful examples of such callables. If None, str is used.

  • None, (- choices -- A container of values that should be allowed. If not) – after a command-line argument has been converted to the appropriate type, an exception will be raised if it is not a member of this collection.

  • the – command line. This is only meaningful for optional command-line arguments.

  • argument. (- help -- The help string describing the)

  • the – help string. If None, the ‘dest’ value will be used as the name.

__call__(parser, namespace, values, option_string=None)[source]
deepmd.main.main_parser() → argparse.ArgumentParser[source]

DeePMD-Kit commandline options argument parser.

Returns:
argparse.ArgumentParser

main parser of DeePMD-kit

deepmd.main.parse_args(args: List[str] | None = None) → argparse.Namespace[source]

Parse arguments and convert argument strings to objects.

Parameters:
argsList[str]

list of command line arguments, main purpose is testing default option None takes arguments from sys.argv

Returns:
argparse.Namespace

the populated namespace

deepmd.main.main()[source]

DeePMD-kit new entry point.

Raises:
RuntimeError

if no command was input