Feature/clean button

src/aiidalab_qe/app/result/__init__.py

@@ -52,14 +52,30 @@ def __init__(self, **kwargs):
             tooltip="Kill the below workchain.",
             button_style="danger",
             icon="window-close",
-            layout=ipw.Layout(width="120px", height="40px"),
+            layout=ipw.Layout(width="120px", height="40px", display="none"),
         )
         self.kill_button.on_click(self._on_click_kill_button)
+
+        self.clean_scratch_button = ipw.Button(
+            description="Clean remote data",
+            tooltip="Clean the remote folders of the workchain.",
+            button_style="danger",
+            icon="folder",
+            layout=ipw.Layout(width="150px", height="40px", display="none"),
+        )
+        self.clean_scratch_button.on_click(self._on_click_clean_scratch_button)
+
         self.process_info = ipw.HTML()
 
         super().__init__(
             [
-                ipw.HBox(children=[self.kill_button, self.process_info]),
+                ipw.HBox(
+                    children=[
+                        self.kill_button,
+                        self.process_info,
+                        self.clean_scratch_button,
+                    ]
+                ),
                 self.process_status,
             ],
             **kwargs,
@@ -93,12 +109,14 @@ def _update_state(self):
                 or process.is_failed
             ):
                 self.state = self.State.FAIL
-                self.kill_button.layout.display = "none"
                 self.process_info.value = PROCESS_EXCEPTED
             elif process.is_finished_ok:
                 self.state = self.State.SUCCESS
-                self.kill_button.layout.display = "none"
                 self.process_info.value = PROCESS_COMPLETED
+            # trigger the update of kill and clean button.
+            if self.state in [self.State.SUCCESS, self.State.FAIL]:
+                self._update_kill_button_layout()
+                self._update_clean_scratch_button_layout()
 
     def _update_kill_button_layout(self):
         """Update the layout of the kill button."""
@@ -107,8 +125,8 @@ def _update_kill_button_layout(self):
             self.kill_button.layout.display = "none"
         else:
             process = orm.load_node(self.process)
-            # If the process is finished or excepted, hide the button.
-            if process.is_finished or process.is_excepted:
+            # If the process is terminated, hide the button.
+            if process.is_terminated:
                 self.kill_button.layout.display = "none"
             else:
                 self.kill_button.layout.display = "block"
@@ -120,6 +138,32 @@ def _update_kill_button_layout(self):
         else:
             self.kill_button.disabled = True
 
+    def _update_clean_scratch_button_layout(self):
+        """Update the layout of the kill button."""
+        # The button is hidden by default, but if we load a new process, we hide again.
+        if not self.process:
+            self.clean_scratch_button.layout.display = "none"
+        else:
+            process = orm.load_node(self.process)
+            # If the process is terminated, show the button.
+            if process.is_terminated:
+                self.clean_scratch_button.layout.display = "block"
+            else:
+                self.clean_scratch_button.layout.display = "none"
+
+            # If the scratch is already empty, we should deactivate the button.
+            # not sure about the performance if descendants are several.
+            cleaned_bool = []
+            for called_descendant in process.called_descendants:
+                if isinstance(called_descendant, orm.CalcJobNode):
+                    try:
+                        cleaned_bool.append(
+                            called_descendant.outputs.remote_folder.is_cleaned
+                        )
+                    except (OSError, KeyError):
+                        pass
+            self.clean_scratch_button.disabled = all(cleaned_bool)
+
     def _on_click_kill_button(self, _=None):
         """callback for the kill button.
         First kill the process, then update the kill button layout.
@@ -130,10 +174,27 @@ def _on_click_kill_button(self, _=None):
         # update the kill button layout
         self._update_kill_button_layout()
 
+    def _on_click_clean_scratch_button(self, _=None):
+        """callback for the clean scratch button.
+        First clean the remote folders, then update the clean button layout.
+        """
+        process = orm.load_node(self.process)
+
+        for called_descendant in process.called_descendants:
+            if isinstance(called_descendant, orm.CalcJobNode):
+                try:
+                    called_descendant.outputs.remote_folder._clean()
+                except (OSError, KeyError):
+                    pass
+
+        # update the kill button layout
+        self._update_clean_scratch_button_layout()
+
     @tl.observe("process")
     def _observe_process(self, _):
         """Callback for when the process is changed."""
         # The order of the following calls matters,
         # as the self.state is updated in the _update_state method.
         self._update_state()
         self._update_kill_button_layout()
+        self._update_clean_scratch_button_layout()

tests/test_result.py

@@ -1,3 +1,7 @@
+import pytest
+
+
+@pytest.mark.usefixtures("sssp")
 def test_result_step(app_to_submit, generate_qeapp_workchain):
     """Test the result step is properly updated when the process
     is running."""
@@ -7,6 +11,21 @@ def test_result_step(app_to_submit, generate_qeapp_workchain):
     assert step.state == step.State.ACTIVE
 
 
+@pytest.mark.usefixtures("sssp")
+def test_kill_and_clean_buttons(app_to_submit, generate_qeapp_workchain):
+    """Test the kill and clean_scratch button are properly displayed when the process
+    is in different states."""
+
+    step = app_to_submit.results_step
+    step.process = generate_qeapp_workchain().node.uuid
+    step._update_state()
+    step._update_kill_button_layout()
+    step._update_clean_scratch_button_layout()
+    assert step.kill_button.layout.display == "block"
+    assert step.clean_scratch_button.layout.display == "none"
+
+
+@pytest.mark.usefixtures("sssp")
 def test_workchainview(generate_qeapp_workchain):
     """Test the result tabs are properly updated"""
     from aiidalab_qe.app.result.workchain_viewer import WorkChainViewer
@@ -18,6 +37,7 @@ def test_workchainview(generate_qeapp_workchain):
     assert wcv.result_tabs._titles["1"] == "Final Geometry"
 
 
+@pytest.mark.usefixtures("sssp")
 def test_summary_report(data_regression, generate_qeapp_workchain):
     """Test the summary report can be properly generated."""
     from aiidalab_qe.app.result.summary_viewer import SummaryView
@@ -29,6 +49,7 @@ def test_summary_report(data_regression, generate_qeapp_workchain):
     data_regression.check(report)
 
 
+@pytest.mark.usefixtures("sssp")
 def test_summary_report_advanced_settings(data_regression, generate_qeapp_workchain):
     """Test advanced settings are properly reported"""
     from aiidalab_qe.app.result.summary_viewer import SummaryView
@@ -41,6 +62,7 @@ def test_summary_report_advanced_settings(data_regression, generate_qeapp_workch
     assert report["initial_magnetic_moments"]["Si"] == 0.1
 
 
+@pytest.mark.usefixtures("sssp")
 def test_summary_view(generate_qeapp_workchain):
     """Test the report html can be properly generated."""
     from bs4 import BeautifulSoup