Test with aiida-core=2.5 (#599)

* Ignore sqlalchemy warnings
* Bump test dependencies
* Remove fixture_localhost
* add FORCE_COLOR to CI
* pk -> id

.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:
@@ -23,7 +25,8 @@ jobs:
         strategy:
             matrix:
                 browser: [Chrome, Firefox]
-                aiida-core-version: [2.1.2, 2.4.3]          # test on the latest and the oldest supported version
+                # test on the latest and the oldest supported version
+                aiida-core-version: [2.1.2, 2.5.1]
             fail-fast: false
 
         runs-on: ubuntu-latest
@@ -84,7 +87,7 @@ 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: [2.2.2, 2.5.1]
             fail-fast: false
 
         runs-on: ubuntu-latest

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,

aiidalab_widgets_base/export.py

@@ -11,7 +11,7 @@ class ExportButtonWidget(ipw.Button):
     def __init__(self, process, **kwargs):
         self.process = process
         if "description" not in kwargs:
-            kwargs["description"] = f"Export workflow ({self.process.id})"
+            kwargs["description"] = f"Export workflow ({self.process.pk})"
         if "layout" not in kwargs:
             kwargs["layout"] = {}
         kwargs["layout"]["width"] = "initial"
@@ -28,7 +28,7 @@ def export_aiida_subgraph(self, change=None):  # pylint: disable=unused-argument
 
         fname = os.path.join(tempfile.mkdtemp(), "export.aiida")
         subprocess.call(
-            ["verdi", "archive", "create", fname, "-N", str(self.process.id)]
+            ["verdi", "archive", "create", fname, "-N", str(self.process.pk)]
         )
         with open(fname, "rb") as fobj:
             b64 = base64.b64encode(fobj.read())
@@ -41,6 +41,6 @@ def export_aiida_subgraph(self, change=None):  # pylint: disable=unused-argument
             document.body.appendChild(link);
             link.click();
             document.body.removeChild(link);
-            """.format(payload=payload, filename=f"export_{self.process.id}.aiida")
+            """.format(payload=payload, filename=f"export_{self.process.pk}.aiida")
         )
         display(javas)

aiidalab_widgets_base/process.py

@@ -249,7 +249,7 @@ def show_selected_output(self, change=None):
             clear_output()
             if change["new"]:
                 selected_output = self.process.outputs[change["new"]]
-                self.info.value = f"PK: {selected_output.id}"
+                self.info.value = f"PK: {selected_output.pk}"
                 display(viewer(selected_output))
 
 
@@ -537,7 +537,7 @@ def __init__(self, title="Running Job Output", **kwargs):
         self.title = title
         self.selection = ipw.Dropdown(
             description="Select calculation:",
-            options=tuple((p.id, p) for p in get_running_calcs(self.process)),
+            options=tuple((p.pk, p) for p in get_running_calcs(self.process)),
             style={"description_width": "initial"},
         )
         self.output = CalcJobOutputWidget()
@@ -551,7 +551,7 @@ def update(self):
         with self.hold_trait_notifications():
             old_label = self.selection.label
             self.selection.options = tuple(
-                (str(p.id), p) for p in get_running_calcs(self.process)
+                (str(p.pk), p) for p in get_running_calcs(self.process)
             )
             # If the selection remains the same.
             if old_label in self.selection.options:

pyproject.toml

@@ -8,8 +8,12 @@ build-backend = "setuptools.build_meta"
 [tool.pytest.ini_options]
 filterwarnings = [
     'error',
+    # This is needed since SQLAlchemy 2.0, see
+    # https://github.com/aiidalab/aiidalab-widgets-base/issues/605
+    'ignore:Object of type .* not in session, .* operation along .* will not proceed:sqlalchemy.exc.SAWarning',
     'ignore::DeprecationWarning:bokeh.core.property.primitive',
     'ignore:Creating AiiDA configuration:UserWarning:aiida',
+    'ignore:The `Code` class:aiida.common.warnings.AiidaDeprecationWarning:',
     'ignore:crystal system:UserWarning:ase.io.cif',
     'ignore::DeprecationWarning:ase.atoms',
     # TODO: This comes from a transitive dependency of ipyoptimade
@@ -20,10 +24,7 @@ filterwarnings = [
     # For some reason we get this error, see
     # https://github.com/aiidalab/aiidalab-widgets-base/issues/551
     'ignore:Exception ignored in:pytest.PytestUnraisableExceptionWarning:_pytest',
-    'ignore::DeprecationWarning:pytest_html',
     'ignore::DeprecationWarning:jupyter_client',
-    'ignore::DeprecationWarning:selenium',
-    'ignore::DeprecationWarning:pytest_selenium',
 ]
 
 [tool.ruff]

setup.cfg

@@ -43,19 +43,15 @@ zip_safe = False
 
 [options.extras_require]
 dev =
-    bumpver~=2023.1129
+    bumpver>=2023.1129
     pgtest~=1.3
-    pre-commit~=3.5
-    # NOTE: pytest-selenium currently incompatible with pytest>=7.2
-    # Maybe could be made to work by installing 'py' dependency, see:
-    # https://docs.pytest.org/en/7.4.x/changelog.html#pytest-7-2-0-2022-10-23
-    pytest~=7.1.0
-    pytest-cov~=4.0
-    pytest-docker~=2.0
-    pytest-selenium~=4.0
+    pre-commit>=3.5
+    pytest~=8.2.0
+    pytest-cov~=5.0
+    pytest-docker~=3.0
+    pytest-selenium~=4.1
     pytest-timeout~=2.2
-    selenium~=4.7.0
-    webdriver-manager~=3.8
+    selenium==4.20.0
 optimade =
     ipyoptimade~=0.1
 smiles =

tests/conftest.py

@@ -14,15 +14,7 @@
 
 
 @pytest.fixture
-def fixture_localhost(aiida_localhost):
-    """Return a localhost `Computer`."""
-    localhost = aiida_localhost
-    localhost.set_default_mpiprocs_per_machine(1)
-    return localhost
-
-
-@pytest.fixture
-def generate_calc_job_node(fixture_localhost):
+def generate_calc_job_node(aiida_localhost):
     """Fixture to generate a mock `CalcJobNode` for testing parsers."""
 
     def flatten_inputs(inputs, prefix=""):
@@ -60,7 +52,7 @@ def _generate_calc_job_node(
         from plumpy import ProcessState
 
         if computer is None:
-            computer = fixture_localhost
+            computer = aiida_localhost
 
         filepath_folder = None
 

tests/test_computational_resources.py

@@ -287,7 +287,7 @@ def test_aiida_code_setup(aiida_localhost):
     assert code.label == "bash"
     assert code.description == "Bash interpreter"
     assert str(code.filepath_executable) == "/bin/bash"
-    assert code.get_input_plugin_name() == "core.arithmetic.add"
+    assert code.default_calc_job_plugin == "core.arithmetic.add"
 
     # Reset the widget and check that a few attributes are reset.
     widget.code_setup = {}

tests/test_export.py

@@ -9,7 +9,7 @@ def test_export_button_widget(multiply_add_completed_workchain, monkeypatch, tmp
 
     process = multiply_add_completed_workchain
     button = export.ExportButtonWidget(process)
-    assert button.description == f"Export workflow ({process.id})"
+    assert button.description == f"Export workflow ({process.pk})"
 
     # Test the export button. monkeypatch the `mkdtemp` function to return a
     # temporary directory in the `tmp_path` fixture to store the export file.