add dpdata cli docs (#317)

Author: njzjz

docs/cli.rst

@@ -0,0 +1,7 @@
+Command line interface
+======================
+
+.. argparse::
+   :module: dpdata.cli
+   :func: dpdata_parser
+   :prog: dpdata

docs/conf.py

@@ -48,6 +48,7 @@
     'sphinx.ext.intersphinx',
     'numpydoc',
     'm2r2',
+    'sphinxarg.ext',
 ]
 
 # Add any paths that contain templates here, relative to this directory.

docs/index.rst

@@ -10,6 +10,7 @@ Welcome to dpdata's documentation!
    :maxdepth: 2
    :caption: Contents:
 
+   cli
    formats
    api/api
 

dpdata/cli.py

@@ -5,14 +5,13 @@
 from .system import System, LabeledSystem, MultiSystems
 
 
-def dpdata_cli():
-    """dpdata cli.
+def dpdata_parser() -> argparse.ArgumentParser:
+    """Returns dpdata cli parser.
 
-    Examples
-    --------
-    .. code-block:: bash
-
-        $ dpdata -iposcar POSCAR -odeepmd/npy -O data -n
+    Returns
+    -------
+    argparse.ArgumentParser
+        dpdata cli parser
     """
     parser = argparse.ArgumentParser(
         description="dpdata: Manipulating multiple atomic simulation data formats",
@@ -28,7 +27,19 @@ def dpdata_cli():
     parser.add_argument("--type-map", "-t", type=str, nargs="+", help="type map")
 
     parser.add_argument('--version', action='version', version='dpdata v%s' % __version__)
+    return parser
 
+
+def dpdata_cli():
+    """dpdata cli.
+
+    Examples
+    --------
+    .. code-block:: bash
+
+        $ dpdata -iposcar POSCAR -odeepmd/npy -O data -n
+    """
+    parser = dpdata_parser()
     parsed_args = parser.parse_args()
     convert(**vars(parsed_args))
 

setup.py

@@ -54,7 +54,7 @@
         'ase': ['ase'],
         'amber': ['parmed'],
         'pymatgen': ['pymatgen'],
-        'docs': ['sphinx', 'recommonmark', 'sphinx_rtd_theme>=1.0.0rc1', 'numpydoc', 'm2r2', 'deepmodeling-sphinx'],
+        'docs': ['sphinx', 'recommonmark', 'sphinx_rtd_theme>=1.0.0rc1', 'numpydoc', 'm2r2', 'deepmodeling-sphinx', 'sphinx-argparse'],
     },
     entry_points={"console_scripts": ["dpdata = dpdata.cli:dpdata_cli"]},
 )