Test aiida 2.7 (#698)

* tests: merlin.psi.ch -> merlin7.psi.sh

Author: danielhollas

.github/workflows/ci.yml

@@ -26,7 +26,7 @@ jobs:
             matrix:
                 browser: [Chrome, Firefox]
                 # test on the latest and the oldest supported version
-                aiida-core-version: [2.1.2, 2.6.3]
+                docker-tag: [aiida-2.1.2, aiida-2.7.1]
             fail-fast: false
 
         runs-on: ubuntu-22.04
@@ -73,13 +73,13 @@ jobs:
             - name: Run pytest
               run: pytest -v --driver ${{ matrix.browser }} tests_notebooks
               env:
-                  TAG: aiida-${{ matrix.aiida-core-version }}
+                  TAG: ${{ matrix.docker-tag }}
 
             - name: Upload screenshots as artifacts
               if: always()
               uses: actions/upload-artifact@v4
               with:
-                  name: Screenshots-aiida-${{ matrix.aiida-core-version }}-${{ matrix.browser }}
+                  name: Screenshots-aiida-${{ matrix.docker-tag }}-${{ matrix.browser }}
                   path: screenshots/
                   if-no-files-found: error
 
@@ -89,7 +89,7 @@ jobs:
             matrix:
                 python-version: ['3.9', '3.11']
                 # Test on the latest and oldest supported version
-                aiida-core-version: [2.2.2, 2.6.3]
+                aiida-core-version: [2.2.2, 2.7.1]
             fail-fast: false
 
         runs-on: ubuntu-24.04

tests/test_computational_resources.py

@@ -572,9 +572,9 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
 
     # Test select a new resource setup will update the output interface (e.g. ssh_config, computer_setup, code_setup)
     # and the computer/code setup widget will be updated accordingly.
-    w.comp_resources_database.domain_selector.value = "merlin.psi.ch"
+    w.comp_resources_database.domain_selector.value = "merlin7.psi.ch"
     w.comp_resources_database.computer_selector.value = "cpu"
-    w.comp_resources_database.code_selector.value = "QuantumESPRESSO-7.0"
+    w.comp_resources_database.code_selector.value = "QuantumESPRESSO-7.4"
 
     # Fill in the computer name and trigger the setup button again, the message should be updated.
     for (
@@ -585,7 +585,7 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
             sub_widget = mapping_variable.widget
 
             # Test the default value is filled in correctly.
-            assert sub_widget.value == "merlin-cpu"
+            assert sub_widget.value == "merlin7-cpu"
 
     # Test the password box is displayed.
     assert w.password_box_container.layout.display == "block"
@@ -627,14 +627,14 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
 
     assert w.success
     # check the code is really created
-    assert orm.load_code("pw-7.0@merlin-cpu")
+    assert orm.load_code("pw-7.4@merlin7-cpu")
 
     # The key pair will be generated to the temporary directory
     # Check the content of the config is correct
     with open(tmp_path / ".ssh" / "config") as f:
         content = f.read()
         assert "User aiida" in content
-        assert "Host merlin-l-01.psi.ch" in content
+        assert "Host login001.merlin7.psi.ch" in content
 
     # After reset the password box should be hidden again.
     w.reset()
@@ -732,9 +732,9 @@ def test_computer_resource_setup_widget_default(monkeypatch, tmp_path):
 
     w_resource = w.resource_setup
 
-    w_resource.comp_resources_database.domain_selector.value = "merlin.psi.ch"
+    w_resource.comp_resources_database.domain_selector.value = "merlin7.psi.ch"
     w_resource.comp_resources_database.computer_selector.value = "cpu"
-    w_resource.comp_resources_database.code_selector.value = "QuantumESPRESSO-7.0"
+    w_resource.comp_resources_database.code_selector.value = "QuantumESPRESSO-7.4"
 
     # Fill in the computer name and trigger the setup button again, the message should be updated.
     for (
@@ -745,7 +745,7 @@ def test_computer_resource_setup_widget_default(monkeypatch, tmp_path):
             sub_widget = mapping_variable.widget
 
             # Test the default value is filled in correctly.
-            assert sub_widget.value == "merlin-cpu"
+            assert sub_widget.value == "merlin7-cpu"
 
     # Fill the computer configure template variables
     for (
@@ -781,17 +781,17 @@ def test_computer_resource_setup_widget_default(monkeypatch, tmp_path):
 
     assert w_resource.success
     # check the code is really created
-    assert orm.load_code("pw-7.0@merlin-cpu")
+    assert orm.load_code("pw-7.4@merlin7-cpu")
 
     # check the dropdown is updated
-    assert "pw-7.0@merlin-cpu" in [c[0] for c in w.code_select_dropdown.options]
+    assert "pw-7.4@merlin7-cpu" in [c[0] for c in w.code_select_dropdown.options]
 
     # The key pair will be generated to the temporary directory
     # Check the content of the config is correct
     with open(tmp_path / ".ssh" / "config") as f:
         content = f.read()
         assert "User aiida" in content
-        assert "Host merlin-l-01.psi.ch" in content
+        assert "Host login001.merlin7.psi.ch" in content
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")

tests/test_databases.py

@@ -51,7 +51,7 @@ def test_computational_resources_database_widget():
     # Same for the quick setup widget.
     widget = ComputationalResourcesDatabaseWidget(default_calc_job_plugin="cp2k")
     assert (
-        "merlin.psi.ch" not in widget.database
+        "merlin7.psi.ch" not in widget.database
     )  # Merlin does not have CP2K installed.
 
     # Select computer/code
@@ -104,9 +104,9 @@ def test_resource_database_widget_recognize_template_entry_points():
     widget = ComputationalResourcesDatabaseWidget(
         default_calc_job_plugin="quantumespresso.pw"
     )
-    assert "merlin.psi.ch" in widget.database
+    assert "merlin7.psi.ch" in widget.database
 
     widget = ComputationalResourcesDatabaseWidget(
         default_calc_job_plugin="quantumespresso.ph"
     )
-    assert "merlin.psi.ch" in widget.database
+    assert "merlin7.psi.ch" in widget.database

tests/test_process.py

@@ -96,15 +96,14 @@ def test_process_follower_widget(multiply_add_process_builder_ready, daemon_clie
 
 @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,
+    stopped_daemon_client,
+    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
@@ -114,11 +113,11 @@ def test_process_report_widget(
     )  # No report produced yet.
 
     # Starting the daemon and waiting for the process to complete.
-    daemon_client.start_daemon()
+    stopped_daemon_client.start_daemon()
     await_for_process_completeness(process)
 
     widget.update()
-    daemon_client.stop_daemon(wait=True)
+    stopped_daemon_client.stop_daemon(wait=True)
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")

tests_notebooks/docker-compose.yml

@@ -1,6 +1,4 @@
 ---
-version: '3.4'
-
 services:
 
     aiidalab: