Add autodoc typehints module

docs/source/conf.py

@@ -31,8 +31,11 @@
     "sphinx.ext.viewcode",
     "sphinxcontrib.contentui",
     "sphinx_copybutton",
+    "sphinx_autodoc_typehints",
 ]
 
+always_use_bars_union = True
+
 numpydoc_validation_checks = {"all", "EX01", "SA01", "ES01"}
 numpydoc_validation_exclude = {
     r"\.__weakref__$",

janus_core/cli/types.py

@@ -79,7 +79,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to ase.io.read. Must be passed as a dictionary
-            wrapped in quotes, e.g. "{'key' : value}". By default,
+            wrapped in quotes, e.g. "{'key': value}". By default,
             read_kwargs['index'] = ':', so all structures are read.
             """
         ),
@@ -94,7 +94,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to ase.io.read. Must be passed as a dictionary
-            wrapped in quotes, e.g. "{'key' : value}". By default,
+            wrapped in quotes, e.g. "{'key': value}". By default,
             read_kwargs['index'] = -1, so only the last structure is read.
             """
         ),
@@ -109,8 +109,8 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to selected calculator. Must be passed as a
-            dictionary wrapped in quotes, e.g. "{'key' : value}". For the default
-            architecture ('mace_mp'), "{'model':'small'}" is set unless overwritten.
+            dictionary wrapped in quotes, e.g. "{'key': value}". For the default
+            architecture ('mace_mp'), "{'model': 'small'}" is set unless overwritten.
             """
         ),
         metavar="DICT",
@@ -124,7 +124,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to ase.io.write when saving results. Must be
-            passed as a dictionary wrapped in quotes, e.g. "{'key' : value}".
+            passed as a dictionary wrapped in quotes, e.g. "{'key': value}".
             """
         ),
         metavar="DICT",
@@ -138,7 +138,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to optimizer. Must be passed as a dictionary
-            wrapped in quotes, e.g. "{'key' : value}".
+            wrapped in quotes, e.g. "{'key': value}".
             """
         ),
         metavar="DICT",
@@ -152,7 +152,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to optimizer. Must be passed as a dictionary
-            wrapped in quotes, e.g. "{'key' : value}".
+            wrapped in quotes, e.g. "{'key': value}".
             """
         ),
         metavar="DICT",
@@ -194,7 +194,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to ensemble initialization. Must be passed as a
-            dictionary wrapped in quotes, e.g. "{'key' : value}".
+            dictionary wrapped in quotes, e.g. "{'key': value}".
             """
         ),
         metavar="DICT",
@@ -222,7 +222,7 @@ def __str__(self) -> str:
         help=(
             """
             Keyword arguments to pass to post-processer. Must be passed as a dictionary
-            wrapped in quotes, e.g. "{'key' : value}".
+            wrapped in quotes, e.g. "{'key': value}".
             """
         ),
         metavar="DICT",

pyproject.toml

@@ -83,6 +83,7 @@ docs = [
     "sphinxcontrib-contentui<1.0.0,>=0.2.5",
     "sphinxcontrib-details-directive<1.0,>=0.1",
     "sphinx-copybutton<1.0.0,>=0.5.2",
+    "sphinx-autodoc-typehints<3.0.0,>=2.5.0"
 ]
 
 pre-commit = [