Update pytest fixtures (#179)

Co-authored-by: ElliottKasoar <[email protected]>

Author: MM0hsin

pyproject.toml

@@ -21,7 +21,7 @@ readme = "README.md"
 keywords = ["aiida", "plugin"]
 
 dependencies = [
-    "aiida-core<3,>=2.6.3",
+    "aiida-core<3,>=2.7",
     "ase<4.0,>=3.24",
     "voluptuous<1,>=0.15.2",
     "janus-core<0.8,>=0.7.5",

tests/conftest.py

@@ -14,14 +14,28 @@
 from aiida.plugins import CalculationFactory
 import pytest
 
-pytest_plugins = ["aiida.manage.tests.pytest_fixtures"]
+pytest_plugins = ["aiida.tools.pytest_fixtures"]
 
 
 @pytest.fixture(scope="function", autouse=True)
 def clear_database_auto(aiida_profile_clean):
     """Automatically clear database in between tests."""
 
 
+@pytest.fixture(scope="session", autouse=True)
+def aiida_profile(aiida_config, aiida_profile_factory):
+    """
+    Session-scoped fixture to create an AiiDA profile.
+
+    Yields
+    ------
+    `Profile`
+        A default profile instance.
+    """
+    with aiida_profile_factory(aiida_config, broker_backend="core.rabbitmq") as profile:
+        yield profile
+
+
 @pytest.fixture(scope="session")
 def filepath_tests():
     """
@@ -82,7 +96,7 @@ def fixture_localhost(aiida_localhost):
 
 
 @pytest.fixture(scope="function")
-def janus_code(aiida_local_code_factory):
+def janus_code(aiida_code_installed):
     """
     Fixture to get the janus code.
 
@@ -97,7 +111,12 @@ def janus_code(aiida_local_code_factory):
         The janus code instance.
     """
     janus_path = shutil.which("janus") or os.environ.get("JANUS_PATH")
-    return aiida_local_code_factory(executable=janus_path, entry_point="mlip.sp")
+
+    return aiida_code_installed(
+        label="janus",
+        default_calc_job_plugin="mlip.sp",
+        filepath_executable=janus_path,
+    )
 
 
 @pytest.fixture

tests/workflows/test_ht.py

@@ -7,11 +7,12 @@
 import pytest
 
 from aiida_mlip.data.model import ModelData
-from aiida_mlip.workflows.ht_workgraph import build_ht_calc
 
 
 def test_ht_singlepoint(janus_code, workflow_structure_folder, model_folder) -> None:
     """Test high throughput singlepoint calculation."""
+    from aiida_mlip.workflows.ht_workgraph import build_ht_calc
+
     SinglepointCalc = CalculationFactory("mlip.sp")
 
     model_file = model_folder / "mace_mp_small.model"
@@ -38,6 +39,8 @@ def test_ht_singlepoint(janus_code, workflow_structure_folder, model_folder) ->
 
 def test_ht_invalid_path(janus_code, workflow_invalid_folder, model_folder) -> None:
     """Test invalid path for high throughput calculation."""
+    from aiida_mlip.workflows.ht_workgraph import build_ht_calc
+
     SinglepointCalc = CalculationFactory("mlip.sp")
 
     model_file = model_folder / "mace_mp_small.model"
@@ -58,6 +61,8 @@ def test_ht_invalid_path(janus_code, workflow_invalid_folder, model_folder) -> N
 
 def test_ht_geomopt(janus_code, workflow_structure_folder, model_folder) -> None:
     """Test high throughput geometry optimisation."""
+    from aiida_mlip.workflows.ht_workgraph import build_ht_calc
+
     GeomoptCalc = CalculationFactory("mlip.opt")
 
     model_file = model_folder / "mace_mp_small.model"