[WIP] Documentation update (#850)

* Add new subpackages to index.rst * Autoupdated Enums * Run pre-commit and fix enums * Add correct punctuation and line breaks to CP2K enum generate script --------- Co-authored-by: Alex Ganose <[email protected]>
materialsproject · Jul 18, 2024 · a9e5ede · a9e5ede
1 parent 7b719e5
commit a9e5ede
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diff --git a/docs/reference/index.rst b/docs/reference/index.rst
@@ -12,9 +12,15 @@ This section gives an overview of the API for atomate2.
     :toctree:
     :nosignatures:
 
+    abinit
+    aims
     amset
+    cli
     common
+    cp2k
+    forcefields
     lobster
+    qchem
     settings
     utils
     vasp
diff --git a/src/atomate2/cp2k/schemas/calc_types/_generate.py b/src/atomate2/cp2k/schemas/calc_types/_generate.py
@@ -36,7 +36,7 @@ class {enum_name}(ValueEnum):
 
 run_type_enum = get_enum_source(
     "RunType",
-    "CP2K calculation run types",
+    "CP2K calculation run types.",
     {
         "_".join(rt.split())
         .replace("+", "_")
@@ -48,7 +48,7 @@ class {enum_name}(ValueEnum):
 )
 task_type_enum = get_enum_source(
     "TaskType",
-    "CP2K calculation task types",
+    "CP2K calculation task types.",
     {"_".join(tt.split()): tt for tt in _TASK_TYPES},
 )
 
@@ -62,7 +62,7 @@ def get_calc_type_key(rt: str) -> str:
 
 calc_type_enum = get_enum_source(
     "CalcType",
-    "CP2K calculation types",
+    "CP2K calculation types.",
     {
         f"{get_calc_type_key(rt)}_{'_'.join(tt.split())}": f"{rt} {tt}"
         for rt, tt in product(_RUN_TYPES, _TASK_TYPES)
@@ -73,9 +73,10 @@ def get_calc_type_key(rt: str) -> str:
 with open(Path(__file__).parent / "enums.py", "w") as file:
     file.write(
         """\"\"\"
-Autogenerated Enums for CP2K RunType, TaskType, and CalcType
-Do not edit this by hand. Edit generate.py or run_types.yaml instead
-\"\"\"
+Autogenerated Enums for CP2K RunType, TaskType, and CalcType.
+
+Do not edit this by hand. Edit generate.py or run_types.yaml instead.
+\"\"\"\n
 from emmet.core.utils import ValueEnum
 
 """