WIP: Support python 3.14

.github/workflows/ci-code.yml

@@ -26,7 +26,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ['3.9', '3.13']
+        python-version: ['3.9', '3.14']
         database-backend: [psql]
 
     services:
@@ -137,7 +137,7 @@ jobs:
     - name: Install aiida-core
       uses: ./.github/actions/install-aiida-core
       with:
-        python-version: '3.13'
+        python-version: '3.14'
 
     - name: Setup SSH on localhost
       run: .github/workflows/setup_ssh.sh
@@ -159,7 +159,7 @@ jobs:
     - name: Install aiida-core
       uses: ./.github/actions/install-aiida-core
       with:
-        python-version: '3.13'
+        python-version: '3.14'
         from-lock: 'true'
         extras: ''
 

.github/workflows/test-install.yml

@@ -111,7 +111,7 @@ jobs:
       fail-fast: false
       matrix:
 
-        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']
+        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13', '3.14']
 
         # Not being able to install with conda on a specific Python version is
         # not sufficient to fail the run, but something we want to be aware of.

environment.yml

@@ -8,7 +8,7 @@ dependencies:
 - python~=3.9
 - alembic~=1.8
 - archive-path~=0.4.2
-- asyncssh~=2.19.0
+- asyncssh~=2.21.0
 - circus~=0.19.0
 - click-spinner~=0.1.8
 - click<8.3,>=8.1.0
@@ -20,7 +20,7 @@ dependencies:
 - ipython>=7.6
 - jedi<0.19
 - jinja2~=3.0
-- kiwipy[rmq]~=0.8.4
+- kiwipy[rmq]>=0.8.4
 - importlib-metadata~=6.0
 - numpy<3,>=1.21
 - paramiko~=3.0
@@ -38,3 +38,4 @@ dependencies:
 - upf_to_json~=0.9.2
 - wrapt~=1.11
 - chardet~=5.2.0
+- nest-asyncio

pyproject.toml

@@ -31,19 +31,19 @@ classifiers = [
 dependencies = [
   'alembic~=1.8',
   'archive-path~=0.4.2',
-  "asyncssh~=2.19.0",
+  "asyncssh~=2.21.0",
   'circus~=0.19.0',
   'click-spinner~=0.1.8',
   'click>=8.1.0,<8.3',
   'disk-objectstore~=1.4.0',
   'docstring-parser',
   'get-annotations~=0.1;python_version<"3.10"',
   'graphviz~=0.19',
-  'plumpy~=0.25.0',
+  "plumpy~=0.25.0",
   'ipython>=7.6',
   'jedi<0.19',
   'jinja2~=3.0',
-  'kiwipy[rmq]~=0.8.4',
+  "kiwipy[rmq]>=0.8.4",
   'importlib-metadata~=6.0',
   'numpy>=1.21,<3',
   'paramiko~=3.0',
@@ -60,7 +60,8 @@ dependencies = [
   'typing-extensions~=4.1',
   'upf_to_json~=0.9.2',
   'wrapt~=1.11',
-  'chardet~=5.2.0;platform_system=="Windows"'
+  'chardet~=5.2.0;platform_system=="Windows"',
+  "nest-asyncio"
 ]
 description = 'AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.'
 dynamic = ['version']  # read from aiida/__init__.py
@@ -280,7 +281,7 @@ tests = [
   'pytest-asyncio~=0.12,<0.17',
   'pytest-timeout~=2.0',
   'pytest-cov~=7.0',
-  'pytest-rerunfailures~=12.0',
+  'pytest-rerunfailures~=16.0',
   'pytest-benchmark~=4.0',
   'pytest-regressions~=2.2',
   'pytest-xdist~=3.6',
@@ -411,8 +412,9 @@ filterwarnings = [
   'ignore:The `aiida.orm.nodes.data.upf` module is deprecated.*:aiida.common.warnings.AiidaDeprecationWarning',
   'ignore:The `Code` class is deprecated.*:aiida.common.warnings.AiidaDeprecationWarning',
   # https://github.com/aiidateam/plumpy/issues/283
-  'ignore:There is no current event loop:DeprecationWarning:plumpy',
-  'ignore:There is no current event loop:DeprecationWarning:nest_asyncio',
+  "ignore:'asyncio.[sg]et_event_loop_policy' is deprecated:DeprecationWarning",
+  "ignore:'asyncio.DefaultEventLoopPolicy' is deprecated:DeprecationWarning",
+  "ignore:'asyncio.iscoroutinefunction' is deprecated:DeprecationWarning:pytest_asyncio",
   # spglib deprecation
   'ignore:dict interface is deprecated:DeprecationWarning',
   # https://github.com/aiidateam/archive-path/issues/21
@@ -579,3 +581,7 @@ commands = molecule {posargs:test}
 # .github/actions/install-aiida-core/action.yml
 # .readthedocs.yml
 required-version = ">=0.8.4"
+
+[tool.uv.sources]
+nest-asyncio = {git = "https://github.com/danielhollas/nest_asyncio", branch = "python-3.14"}
+plumpy = {git = "https://github.com/danielhollas/plumpy", rev = "06d6f3c32ee4e7f7dafcba0bd507401f349184c6"}

src/aiida/engine/processes/futures.py

@@ -43,7 +43,12 @@ def __init__(
         from .process import ProcessState
 
         # create future in specified event loop
-        loop = loop if loop is not None else asyncio.get_event_loop()
+        if not loop:
+            try:
+                loop = asyncio.get_event_loop()
+            except RuntimeError:
+                loop = asyncio.new_event_loop()
+
         super().__init__(loop=loop)
 
         assert not (poll_interval is None and communicator is None), 'Must poll or have a communicator to use'
@@ -70,7 +75,10 @@ def _subscriber(*args, **kwargs):
 
             # Start polling
             if poll_interval is not None:
-                loop.create_task(self._poll_process(node, poll_interval))
+                # TODO: Write a test with gc.collect to see if the assignment is needed?
+                # (per RUF006)
+                # self._task = loop.create_task(self._poll_process(node, poll_interval))
+                loop.create_task(self._poll_process(node, poll_interval))  # noqa: RUF006
 
     def cleanup(self) -> None:
         """Clean up the future by removing broadcast subscribers from the communicator if it still exists."""

src/aiida/engine/runners.py

@@ -82,7 +82,14 @@ def __init__(
         ), 'Must supply a persister if you want to submit using communicator'
 
         set_event_loop_policy()
-        self._loop = loop if loop is not None else asyncio.get_event_loop()
+        if loop is not None:
+            self._loop = loop
+        else:
+            try:
+                self._loop = asyncio.get_event_loop()
+            except RuntimeError:
+                self._loop = asyncio.new_event_loop()
+
         self._poll_interval = poll_interval
         self._broker_submit = broker_submit
         self._transport = transports.TransportQueue(self._loop)

src/aiida/engine/transports.py

@@ -45,7 +45,14 @@ class TransportQueue:
 
     def __init__(self, loop: Optional[asyncio.AbstractEventLoop] = None):
         """:param loop: An asyncio event, will use `asyncio.get_event_loop()` if not supplied"""
-        self._loop = loop if loop is not None else asyncio.get_event_loop()
+
+        if loop is not None:
+            self._loop = loop
+        else:
+            try:
+                self._loop = asyncio.get_event_loop()
+            except RuntimeError:
+                self._loop = asyncio.new_event_loop()
         self._transport_requests: Dict[Hashable, TransportRequest] = {}
 
     @property

src/aiida/engine/utils.py

@@ -128,7 +128,11 @@ def interruptable_task(
     :param loop: the event loop in which to run the coroutine, by default uses asyncio.get_event_loop()
     :return: an InterruptableFuture
     """
-    loop = loop or asyncio.get_event_loop()
+    try:
+        loop = loop or asyncio.get_event_loop()
+    except RuntimeError:
+        loop = asyncio.new_event_loop()
+
     future = InterruptableFuture()
 
     async def execute_coroutine():
@@ -151,7 +155,9 @@ async def execute_coroutine():
             if not future.done():
                 future.set_result(result)
 
-    loop.create_task(execute_coroutine())
+    # TODO: Store the task somewhere?
+    # See `ruff rule RUF006`
+    loop.create_task(execute_coroutine())  # noqa: RUF006
 
     return future
 
@@ -164,7 +170,7 @@ def ensure_coroutine(fct: Callable[..., Any]) -> Callable[..., Awaitable[Any]]:
     :param fct: the function
     :returns: the coroutine
     """
-    if asyncio.iscoroutinefunction(fct):
+    if inspect.iscoroutinefunction(fct):
         return fct
 
     async def wrapper(*args, **kwargs):
@@ -252,7 +258,10 @@ def loop_scope(loop) -> Iterator[None]:
 
     :param loop: The event loop to make current for the duration of the scope
     """
-    current = asyncio.get_event_loop()
+    try:
+        current = asyncio.get_event_loop()
+    except RuntimeError:
+        current = None
 
     try:
         asyncio.set_event_loop(loop)

tests/conftest.py

@@ -510,6 +510,7 @@ def event_loop(manager, aiida_profile_clean):
 
     This is automatically called as a fixture for any test marked with ``@pytest.mark.asyncio``.
     """
+    assert manager.get_runner().loop is not None
     yield manager.get_runner().loop
 
 

tests/engine/test_manager.py

@@ -24,7 +24,10 @@ class TestJobManager:
     @pytest.fixture(autouse=True)
     def init_profile(self, aiida_localhost):
         """Initialize the profile."""
-        self.loop = asyncio.get_event_loop()
+        try:
+            self.loop = asyncio.get_event_loop()
+        except RuntimeError:
+            self.loop = asyncio.new_event_loop()
         self.transport_queue = TransportQueue(self.loop)
         self.user = User.collection.get_default()
         self.computer = aiida_localhost
@@ -39,7 +42,8 @@ def test_get_jobs_list(self):
         # Calling the method again, should return the exact same instance of `JobsList`
         assert self.manager.get_jobs_list(self.auth_info) == jobs_list
 
-    def test_request_job_info_update(self):
+    @pytest.mark.asyncio
+    async def test_request_job_info_update(self):
         """Test the `JobManager.request_job_info_update` method."""
         with self.manager.request_job_info_update(self.auth_info, job_id=1) as request:
             assert isinstance(request, asyncio.Future)
@@ -54,7 +58,10 @@ class TestJobsList:
     @pytest.fixture(autouse=True)
     def init_profile(self, aiida_localhost):
         """Initialize the profile."""
-        self.loop = asyncio.get_event_loop()
+        try:
+            self.loop = asyncio.get_event_loop()
+        except RuntimeError:
+            self.loop = asyncio.new_event_loop()
         self.transport_queue = TransportQueue(self.loop)
         self.user = User.collection.get_default()
         self.computer = aiida_localhost

tests/engine/test_process_function.py

@@ -36,8 +36,6 @@
 CUSTOM_LABEL = 'Custom label'
 CUSTOM_DESCRIPTION = 'Custom description'
 
-pytest.mark.requires_rmq
-
 
 @workfunction
 def function_return_input(data):

tests/engine/test_runners.py

@@ -25,7 +25,11 @@
 def runner():
     """Construct and return a `Runner`."""
     loop = asyncio.new_event_loop()
-    return get_manager().create_runner(poll_interval=0.5, loop=loop)
+    runner = get_manager().create_runner(poll_interval=0.5, loop=loop)
+    yield runner
+    if not runner.is_closed():
+        runner.close()
+    loop.close()
 
 
 class Proc(Process):
@@ -46,7 +50,6 @@ def the_hans_klok_comeback(loop):
     loop.stop()
 
 
-@pytest.mark.requires_rmq
 def test_call_on_process_finish(runner):
     """Test call on calculation finish."""
     loop = runner.loop

tests/engine/test_transport.py

@@ -55,6 +55,7 @@ async def nested(queue, authinfo):
 
         loop.run_until_complete(nested(transport_queue, self.authinfo))
 
+    @pytest.mark.asyncio
     def test_get_transport_interleaved(self):
         """Test interleaved calls to get the same transport."""
         transport_queue = TransportQueue()