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50 changes: 45 additions & 5 deletions deepmd/entrypoints/main.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@

import argparse
import logging
import textwrap
from pathlib import Path
from typing import Dict, List, Optional

Expand Down Expand Up @@ -45,6 +46,11 @@ def get_ll(log_level: str) -> int:

return int_level

class RawTextArgumentDefaultsHelpFormatter(
argparse.RawTextHelpFormatter, argparse.ArgumentDefaultsHelpFormatter
):
"""This formatter is used to print multile-line help message with default value."""


def main_parser() -> argparse.ArgumentParser:
"""DeePMD-Kit commandline options argument parser.
Expand Down Expand Up @@ -139,7 +145,13 @@ def main_parser() -> argparse.ArgumentParser:
"train",
parents=[parser_log, parser_mpi_log],
help="train a model",
formatter_class=argparse.ArgumentDefaultsHelpFormatter,
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp train input.json
dp train input.json --restart model.ckpt
dp train input.json --init-model model.ckpt
"""),
)
parser_train.add_argument(
"INPUT", help="the input parameter file in json or yaml format"
Expand Down Expand Up @@ -183,7 +195,12 @@ def main_parser() -> argparse.ArgumentParser:
"freeze",
parents=[parser_log],
help="freeze the model",
formatter_class=argparse.ArgumentDefaultsHelpFormatter,
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp freeze
dp freeze -o graph.pb
"""),
)
parser_frz.add_argument(
"-c",
Expand Down Expand Up @@ -219,7 +236,11 @@ def main_parser() -> argparse.ArgumentParser:
"test",
parents=[parser_log],
help="test the model",
formatter_class=argparse.ArgumentDefaultsHelpFormatter,
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp test -m graph.pb -s /path/to/system -n 30
"""),
)
parser_tst.add_argument(
"-m",
Expand Down Expand Up @@ -274,7 +295,12 @@ def main_parser() -> argparse.ArgumentParser:
"compress",
parents=[parser_log, parser_mpi_log],
help="compress a model",
formatter_class=argparse.ArgumentDefaultsHelpFormatter,
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp compress
dp compress -i graph.pb -o compressed.pb
"""),
)
parser_compress.add_argument(
"-i",
Expand Down Expand Up @@ -355,7 +381,11 @@ def main_parser() -> argparse.ArgumentParser:
"model-devi",
parents=[parser_log],
help="calculate model deviation",
formatter_class=argparse.ArgumentDefaultsHelpFormatter,
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp model-devi -m graph.000.pb graph.001.pb graph.002.pb graph.003.pb -s ./data -o model_devi.out
"""),
)
parser_model_devi.add_argument(
"-m",
Expand Down Expand Up @@ -395,6 +425,11 @@ def main_parser() -> argparse.ArgumentParser:
'convert-from',
parents=[parser_log],
help='convert lower model version to supported version',
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp convert-from 1.0 -i graph.pb -o graph_new.pb
"""),
)
parser_transform.add_argument(
'FROM',
Expand Down Expand Up @@ -422,6 +457,11 @@ def main_parser() -> argparse.ArgumentParser:
'neighbor-stat',
parents=[parser_log],
help='Calculate neighbor statistics',
formatter_class=RawTextArgumentDefaultsHelpFormatter,
epilog=textwrap.dedent("""\
examples:
dp neighbor-stat -s data -r 6.0 -t O H
"""),
)
parser_neighbor_stat.add_argument(
"-s",
Expand Down