👌 Improve calcfunction/workfunction typing

aiida/engine/processes/functions.py

@@ -41,13 +41,20 @@
 from aiida.orm.utils.mixins import FunctionCalculationMixin
 
 from .process import Process
+from .process_spec import ProcessSpec
 
 try:
     UnionType = types.UnionType
 except AttributeError:
     # This type is not available for Python 3.9 and older
     UnionType = None  # type: ignore[assignment,misc]  # pylint: disable=invalid-name
 
+try:
+    from typing import ParamSpec
+except ImportError:
+    # Fallback for Python 3.9 and older
+    from typing_extensions import ParamSpec  # type: ignore[assignment]
+
 try:
     get_annotations = inspect.get_annotations
 except AttributeError:
@@ -87,7 +94,38 @@ def get_stack_size(size: int = 2) -> int:  # type: ignore[return]
         return size - 1
 
 
-def calcfunction(function: FunctionType) -> FunctionType:
+P = ParamSpec('P')
+R_co = t.TypeVar('R_co', covariant=True)
+N = t.TypeVar('N', bound=ProcessNode)
+
+
+class ProcessFunctionType(t.Protocol, t.Generic[P, R_co, N]):
+    """Protocol for a decorated process function."""
+
+    def __call__(self, *args: P.args, **kwargs: P.kwargs) -> R_co:
+        ...
+
+    def run(self, *args: P.args, **kwargs: P.kwargs) -> R_co:
+        ...
+
+    def run_get_pk(self, *args: P.args, **kwargs: P.kwargs) -> tuple[dict[str, t.Any] | None, int]:
+        ...
+
+    def run_get_node(self, *args: P.args, **kwargs: P.kwargs) -> tuple[dict[str, t.Any] | None, N]:
+        ...
+
+    is_process_function: bool
+
+    node_class: t.Type[N]
+
+    process_class: t.Type[Process]
+
+    recreate_from: t.Callable[[N], Process]
+
+    spec: t.Callable[[], ProcessSpec]
+
+
+def calcfunction(function: t.Callable[P, R_co]) -> ProcessFunctionType[P, R_co, CalcFunctionNode]:
     """
     A decorator to turn a standard python function into a calcfunction.
     Example usage:
@@ -111,10 +149,10 @@ def calcfunction(function: FunctionType) -> FunctionType:
     :param function: The function to decorate.
     :return: The decorated function.
     """
-    return process_function(node_class=CalcFunctionNode)(function)
+    return process_function(node_class=CalcFunctionNode)(function)  # type: ignore[arg-type]
 
 
-def workfunction(function: FunctionType) -> FunctionType:
+def workfunction(function: t.Callable[P, R_co]) -> ProcessFunctionType[P, R_co, WorkFunctionNode]:
     """
     A decorator to turn a standard python function into a workfunction.
     Example usage:
@@ -138,7 +176,7 @@ def workfunction(function: FunctionType) -> FunctionType:
     :param function: The function to decorate.
     :return: The decorated function.
     """
-    return process_function(node_class=WorkFunctionNode)(function)
+    return process_function(node_class=WorkFunctionNode)(function)  # type: ignore[arg-type]
 
 
 def process_function(node_class: t.Type['ProcessNode']) -> t.Callable[[FunctionType], FunctionType]:

aiida/parsers/parser.py

@@ -167,7 +167,7 @@ def parse_calcfunction(**kwargs):
         inputs = {'metadata': {'store_provenance': store_provenance}}
         inputs.update(parser.get_outputs_for_parsing())
 
-        return parse_calcfunction.run_get_node(**inputs)  # type: ignore[attr-defined]
+        return parse_calcfunction.run_get_node(**inputs)
 
     @abstractmethod
     def parse(self, **kwargs) -> Optional[ExitCode]:

docs/source/nitpick-exceptions

@@ -103,6 +103,15 @@ py:class aiida.storage.sqlite_zip.models.DbGroupNode
 py:class aiida.engine.processes.workchains.context.ToContext
 py:func aiida.orm.implementation.BackendQueryBuilder
 
+### Typing aliases
+py:obj aiida.engine.processes.functions.P
+py:obj aiida.engine.processes.functions.N
+py:obj aiida.engine.processes.functions.R_co
+py:class P
+py:class N
+py:class aiida.engine.processes.functions.N
+py:class aiida.engine.processes.functions.R_co
+
 ### third-party packages
 # Note: These exceptions are needed if
 # * the objects are referenced e.g. as param/return types types in method docstrings (without intersphinx mapping)
@@ -117,7 +126,7 @@ py:class click.types.Path
 py:class click.types.File
 py:class click.types.StringParamType
 py:func click.shell_completion._start_of_option
-py:meth  click.Option.get_default
+py:meth click.Option.get_default
 py:meth fail
 
 py:class requests.models.Response