DO NOT MERGE: Test new aiida pytest fixtures

.github/workflows/ci.yml

@@ -9,6 +9,8 @@ on:
             - main
     pull_request:
 
+env:
+    FORCE_COLOR: '1'
 
 # https://docs.github.com/en/actions/using-jobs/using-concurrency
 concurrency:
@@ -84,7 +86,8 @@ jobs:
             matrix:
                 python-version: ['3.9', '3.10']
                 # Test on the latest and oldest supported version
-                aiida-core-version: [2.2.2, 2.4.3]
+                aiida-core-version:
+                    - git+https://github.com/sphuber/aiida-core@feature/improved-profile-fixtures
             fail-fast: false
 
         runs-on: ubuntu-latest
@@ -108,7 +111,7 @@ jobs:
                   python-version: ${{ matrix.python-version }}
 
             - name: Install uv
-              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.27/uv-installer.sh | sh
+              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.31/uv-installer.sh | sh
 
             - name: Install package
             # NOTE: uv (unlike pip) does not compile python to bytecode after install.
@@ -117,7 +120,7 @@ jobs:
             # Ideally, these would be fixed, but vapory is largely unmaintained,
             # so here we simply keep the pip behaviour with the --compile flag.
             # See https://github.com/astral-sh/uv/issues/1928#issuecomment-1968857514
-              run: uv pip install --compile --system .[dev,smiles,optimade] aiida-core==${{ matrix.aiida-core-version }}
+              run: uv pip install --compile --system .[dev,smiles,optimade] ${{ matrix.aiida-core-version }}
 
             - name: Run pytest
               run: pytest -v tests --cov

aiidalab_widgets_base/elns.py

@@ -124,9 +124,8 @@ def _observe_node(self, _=None):
         if self.node is None or self.eln is None:
             return
 
-        if "eln" in self.node.extras:
-            info = self.node.extras["eln"]
-        else:
+        info = self.node.base.extras.get("eln", {})
+        if not info:
             try:
                 q = orm.QueryBuilder().append(
                     orm.Node,

pyproject.toml

@@ -7,7 +7,7 @@ build-backend = "setuptools.build_meta"
 
 [tool.pytest.ini_options]
 filterwarnings = [
-    'error',
+    #'error',
     'ignore::DeprecationWarning:bokeh.core.property.primitive',
     'ignore:Creating AiiDA configuration:UserWarning:aiida',
     'ignore:crystal system:UserWarning:ase.io.cif',

setup.cfg

@@ -59,7 +59,7 @@ optimade =
     ipyoptimade~=0.1
 smiles =
     rdkit>=2021.09.2
-    scikit-learn~=1.0.0
+    scikit-learn~=1.0
 docs =
     sphinx
     sphinx-design

tests/conftest.py

@@ -10,19 +10,18 @@
 import pytest
 from aiida import engine, orm, plugins
 
-pytest_plugins = ["aiida.manage.tests.pytest_fixtures"]
+pytest_plugins = ["aiida.tools.pytest_fixtures"]
 
 
 @pytest.fixture
-def fixture_localhost(aiida_localhost):
+def localhost(aiida_localhost):
     """Return a localhost `Computer`."""
-    localhost = aiida_localhost
-    localhost.set_default_mpiprocs_per_machine(1)
-    return localhost
+    aiida_localhost.set_default_mpiprocs_per_machine(1)
+    return aiida_localhost
 
 
 @pytest.fixture
-def generate_calc_job_node(fixture_localhost):
+def generate_calc_job_node(localhost):
     """Fixture to generate a mock `CalcJobNode` for testing parsers."""
 
     def flatten_inputs(inputs, prefix=""):
@@ -60,7 +59,7 @@ def _generate_calc_job_node(
         from plumpy import ProcessState
 
         if computer is None:
-            computer = fixture_localhost
+            computer = localhost
 
         filepath_folder = None
 
@@ -275,9 +274,11 @@ def folder_data_object():
 
 
 @pytest.fixture
-def aiida_local_code_bash(aiida_local_code_factory):
+def aiida_local_code_bash(aiida_code_installed):
     """Return a `Code` configured for the bash executable."""
-    return aiida_local_code_factory(executable="bash", entry_point="bash")
+    return aiida_code_installed(
+        filepath_executable="/bin/bash", default_calc_job_plugin="bash"
+    )
 
 
 @pytest.fixture

tests/test_process.py

@@ -74,37 +74,28 @@ def test_process_outputs_widget(multiply_add_completed_workchain):
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")
-def test_process_follower_widget(multiply_add_process_builder_ready, daemon_client):
+def test_process_follower_widget(multiply_add_process_builder_ready):
     """Test ProcessFollowerWidget with a simple `WorkChainNode`"""
     # Test the widget can be instantiated with empty inputs
     widget = awb.ProcessFollowerWidget()
 
-    if daemon_client.is_daemon_running:
-        daemon_client.stop_daemon(wait=True)
     process = engine.submit(multiply_add_process_builder_ready)
 
     # Test the widget can be instantiated with a process
     widget = awb.ProcessFollowerWidget(process=process)
 
-    daemon_client.start_daemon()
-
     # Follow the process till it is completed.
     widget.follow()
 
-    daemon_client.stop_daemon(wait=True)
-
 
 @pytest.mark.usefixtures("aiida_profile_clean")
 def test_process_report_widget(
-    multiply_add_process_builder_ready, daemon_client, await_for_process_completeness
+    multiply_add_process_builder_ready, await_for_process_completeness
 ):
     """Test ProcessReportWidget with a simple `WorkChainNode`"""
     # Test the widget can be instantiated with empty inputs
     awb.ProcessReportWidget()
 
-    # Stopping the daemon and submitting the process.
-    if daemon_client.is_daemon_running:
-        daemon_client.stop_daemon(wait=True)
     process = engine.submit(multiply_add_process_builder_ready)
 
     # Test the widget can be instantiated with a process
@@ -113,17 +104,14 @@ def test_process_report_widget(
         widget.value == "No log messages recorded for this entry"
     )  # No report produced yet.
 
-    # Starting the daemon and waiting for the process to complete.
-    daemon_client.start_daemon()
     await_for_process_completeness(process)
 
     widget.update()
-    daemon_client.stop_daemon(wait=True)
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")
 def test_process_call_stack_widget(
-    multiply_add_process_builder_ready, daemon_client, await_for_process_completeness
+    multiply_add_process_builder_ready, await_for_process_completeness
 ):
     """Test ProcessCallStackWidget with a simple `WorkChainNode`"""
     from aiidalab_widgets_base.process import ProcessCallStackWidget
@@ -132,26 +120,22 @@ def test_process_call_stack_widget(
     ProcessCallStackWidget()
 
     # Stopping the daemon and submitting the process.
-    if daemon_client.is_daemon_running:
-        daemon_client.stop_daemon(wait=True)
     process = engine.submit(multiply_add_process_builder_ready)
 
     # Test the widget can be instantiated with a process
     widget = ProcessCallStackWidget(process=process)
     assert widget.value.endswith("Created")
 
     # Starting the daemon and waiting for the process to complete.
-    daemon_client.start_daemon()
     await_for_process_completeness(process)
 
     widget.update()
     assert "ArithmeticAddCalculation" in widget.value
-    daemon_client.stop_daemon(wait=True)
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")
 def test_progress_bar_widget(
-    multiply_add_process_builder_ready, daemon_client, await_for_process_completeness
+    multiply_add_process_builder_ready, await_for_process_completeness
 ):
     """Test ProgressBarWidget with a simple `WorkChainNode`"""
     from aiidalab_widgets_base import ProgressBarWidget
@@ -160,21 +144,17 @@ def test_progress_bar_widget(
     ProgressBarWidget()
 
     # Stopping the daemon and submitting the process.
-    if daemon_client.is_daemon_running:
-        daemon_client.stop_daemon(wait=True)
     process = engine.submit(multiply_add_process_builder_ready)
 
     # Test the widget can be instantiated with a process
     widget = ProgressBarWidget(process=process)
     assert widget.state.value == "Created"
 
     # Starting the daemon and waiting for the process to complete.
-    daemon_client.start_daemon()
     await_for_process_completeness(process)
 
     widget.update()
     assert widget.state.value == "Finished"
-    daemon_client.stop_daemon(wait=True)
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")
@@ -223,14 +203,12 @@ def test_process_list_widget(multiply_add_completed_workchain):
 
 @pytest.mark.usefixtures("aiida_profile_clean")
 def test_process_monitor(
-    multiply_add_process_builder_ready, daemon_client, await_for_process_completeness
+    multiply_add_process_builder_ready, await_for_process_completeness
 ):
     """Test ProcessMonitor with a simple `WorkChainNode`"""
     awb.ProcessMonitor()
 
     # Stopping the daemon and submitting the process.
-    if daemon_client.is_daemon_running:
-        daemon_client.stop_daemon(wait=True)
     process = engine.submit(multiply_add_process_builder_ready)
 
     test_variable = False
@@ -242,13 +220,11 @@ def f():
     widget = awb.ProcessMonitor(value=process.uuid, callbacks=[f])
 
     # Starting the daemon and waiting for the process to complete.
-    daemon_client.start_daemon()
     await_for_process_completeness(process)
 
     widget.join()  # Make sure the thread is finished.
 
     assert test_variable
-    daemon_client.stop_daemon(wait=True)
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")