Update docs

Author: superstar54

docs/gallery/autogen/pyfunction.py

@@ -78,3 +78,71 @@ def generate_structures(element: str, factors: list) -> dict:
 print("Generated scaled structures:")
 for key, value in result.items():
     print(key, value)
+
+
+# %%
+# Async functions
+# ---------------
+# ``pyfunction`` also supports Python's ``async`` functions. This is a powerful feature for
+# tasks that are I/O-bound (e.g., waiting for network requests, file operations) or for
+# running multiple tasks concurrently without blocking the AiiDA daemon.
+#
+# When you ``submit`` an async function, the call returns immediately with a process node,
+# allowing your script to continue running while the function executes in the background.
+#
+
+import asyncio
+from aiida.engine import run, submit
+import datetime
+from aiida_pythonjob import prepare_pyfunction_inputs
+
+
+@pyfunction()
+async def add_async(x, y, time: float):
+    """A simple function that adds two numbers."""
+    import asyncio
+
+    # Simulate asynchronous I/O or computation
+    await asyncio.sleep(time)
+    return x + y
+
+
+inputs = prepare_pyfunction_inputs(
+    add_async,
+    function_inputs={"x": 2, "y": 3, "time": 2.0},
+)
+
+node = submit(add_async, **inputs)
+
+# %%
+# Here is an example to monitor external events or conditions without blocking.
+# Here is an example that waits until a specified time.
+#
+
+
+@pyfunction()
+async def monitor_time(time: datetime.datetime):
+    # monitor until the specified time
+    while datetime.datetime.now() < time:
+        print("Waiting...")
+        await asyncio.sleep(0.5)
+
+
+inputs = prepare_pyfunction_inputs(
+    monitor_time,
+    function_inputs={"time": datetime.datetime.now() + datetime.timedelta(seconds=5)},
+)
+
+node = submit(monitor_time, **inputs)
+
+# %%#
+# Killing an async process
+# ------------------------
+# Since async functions run as regular AiiDA processes, they can be controlled and killed
+# programmatically. This is useful for managing long-running or stuck tasks.
+# You can kill a running async function using the AiiDA command line interface.
+#
+# .. code-block:: bash
+#
+#    $ verdi process kill <pk>
+#

src/aiida_pythonjob/data/__init__.py

@@ -1,4 +1,5 @@
+from .common_data import DateTimeData
 from .pickled_data import PickledData
 from .serializer import general_serializer, serialize_to_aiida_nodes
 
-__all__ = ("PickledData", "general_serializer", "serialize_to_aiida_nodes")
+__all__ = ("PickledData", "general_serializer", "serialize_to_aiida_nodes", "DateTimeData")

tests/test_async.py

@@ -47,17 +47,17 @@ def test_async_function_raises_produces_exit_code():
 def test_async_function_kill():
     inputs = prepare_pyfunction_inputs(
         add_async,
-        function_inputs={"x": 1, "y": 2, "t": 20},
+        function_inputs={"x": 1, "y": 2, "t": 30},
     )
     node = submit(PyFunction, **inputs)
     # wait process to start
     time.sleep(2)
     control.kill_processes(
         [node],
         all_entries=None,
-        timeout=5,
+        timeout=10,
     )
     # wait kill to take effect
-    time.sleep(5)
+    time.sleep(10)
     assert node.is_killed
     assert "Killed through" in node.process_status