add auto cli docs

doc/conf.py

@@ -45,6 +45,7 @@
     'myst_parser',
     'sphinx.ext.autosummary',
     'sphinx.ext.viewcode',
+    'sphinxarg.ext',
 ]
 
 

doc/index.rst

@@ -7,6 +7,8 @@ DPGEN's documentation
 .. toctree::
    :maxdepth: 2
    :caption: Overview
+
+   overview/cli
 
 
 .. _installation::

doc/overview/cli.rst

@@ -0,0 +1,7 @@
+Command line interface
+======================
+
+.. argparse::
+   :module: dpgen.main
+   :func: main_parser
+   :prog: dpgen

doc/requirements.txt

@@ -2,6 +2,7 @@ sphinx>=4.0.2
 recommonmark
 sphinx_rtd_theme
 sphinx_markdown_tables
+sphinx-argparse
 myst-parser
 deepmodeling_sphinx
 .

dpgen/main.py

@@ -30,9 +30,14 @@
 __email__ = ""
 
 
-def main():
-    info()
-    print("Description\n------------")
+def main_parser() -> argparse.ArgumentParser:
+    """Returns parser for `dpgen` command.
+
+    Returns
+    -------
+    argparse.ArgumentParser
+        parser for `dpgen` command
+    """
     parser = argparse.ArgumentParser(description="""
     dpgen is a convenient script that uses DeepGenerator to prepare initial
     data, drive DeepMDkit and analyze results. This script works based on
@@ -156,8 +161,13 @@ def main():
                         help="parameter file, json format")
 
     parser_db.set_defaults(func=db_run)
+    return parser
 
 
+def main():
+    info()
+    print("Description\n------------")
+    parser = main_parser()
     try:
         import argcomplete
         argcomplete.autocomplete(parser)