Merge branch 'master' into fix/633/fix_black_sphere

aiidalab · Oct 21, 2024 · 3ee8fcb · 3ee8fcb
2 parents 73e7013 + 152c2bb
commit 3ee8fcb
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diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -4,7 +4,7 @@ ci:
 
 repos:
     - repo: https://github.com/pre-commit/pre-commit-hooks
-      rev: v4.6.0
+      rev: v5.0.0
       hooks:
           - id: check-json
           - id: check-yaml
@@ -13,7 +13,7 @@ repos:
             exclude: miscellaneous/structures
 
     - repo: https://github.com/astral-sh/ruff-pre-commit
-      rev: v0.5.0
+      rev: v0.6.9
       hooks:
           - id: ruff-format
             exclude: ^docs/.*
@@ -27,7 +27,7 @@ repos:
             args: [--preserve-quotes]
 
     - repo: https://github.com/sirosen/check-jsonschema
-      rev: 0.28.6
+      rev: 0.29.3
       hooks:
           - id: check-github-workflows
 

diff --git a/aiidalab_widgets_base/wizard.py b/aiidalab_widgets_base/wizard.py
@@ -88,7 +88,7 @@ class WizardAppWidget(ipw.VBox):
 
     selected_index = tl.Int(allow_none=True)
 
-    def __init__(self, steps, **kwargs):
+    def __init__(self, steps, show_header=True, **kwargs):
         # The number of steps must be greater than one
         # for this app's logic to make sense.
         if len(steps) < 2:
@@ -142,11 +142,20 @@ def __init__(self, steps, **kwargs):
         )
         self.next_button.on_click(self._on_click_next_button)
 
-        header = ipw.HBox(
+        self.header = ipw.HBox(
             children=[self.back_button, self.reset_button, self.next_button]
         )
+        self.show_header = show_header
 
-        super().__init__(children=[header, self.accordion], **kwargs)
+        super().__init__(children=[self.header, self.accordion], **kwargs)
+
+    @property
+    def show_header(self):
+        return self.header.layout.display != "none"
+
+    @show_header.setter
+    def show_header(self, value):
+        self.header.layout.display = "flex" if value else "none"
 
     def _update_titles(self):
         for i, (title, widget) in enumerate(zip(self.titles, self.accordion.children)):

diff --git a/notebooks/eln_import.ipynb b/notebooks/eln_import.ipynb
@@ -42,10 +42,15 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from aiidalab_widgets_base import AiidaNodeViewWidget, OpenAiidaNodeInAppWidget, ElnImportWidget\n",
     "import urllib.parse as urlparse\n",
-    "from aiidalab_widgets_base import viewer\n",
-    "from traitlets import dlink"
+    "\n",
+    "from traitlets import dlink\n",
+    "\n",
+    "from aiidalab_widgets_base import (\n",
+    "    AiidaNodeViewWidget,\n",
+    "    ElnImportWidget,\n",
+    "    OpenAiidaNodeInAppWidget,\n",
+    ")"
    ]
   },
   {
@@ -55,9 +60,9 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "url = urlparse.urlsplit(jupyter_notebook_url)\n",
+    "url = urlparse.urlsplit(jupyter_notebook_url)  # noqa: F821\n",
     "parsed_url = urlparse.parse_qs(url.query)\n",
-    "params = {key:value[0] for key, value in parsed_url.items()}\n",
+    "params = {key: value[0] for key, value in parsed_url.items()}\n",
     "eln_widget = ElnImportWidget(**params)"
    ]
   },
@@ -71,8 +76,8 @@
     "object_displayed = AiidaNodeViewWidget()\n",
     "open_in_app = OpenAiidaNodeInAppWidget()\n",
     "\n",
-    "_ = dlink((eln_widget, 'node'), (object_displayed, 'node'))\n",
-    "_ = dlink((eln_widget, 'node'), (open_in_app, 'node'))"
+    "_ = dlink((eln_widget, \"node\"), (object_displayed, \"node\"))\n",
+    "_ = dlink((eln_widget, \"node\"), (open_in_app, \"node\"))"
    ]
   },
   {

diff --git a/notebooks/process.ipynb b/notebooks/process.ipynb
@@ -37,13 +37,19 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "import ipywidgets as ipw\n",
-    "from IPython.display import clear_output\n",
-    "from aiida.cmdline.utils.ascii_vis import format_call_graph\n",
     "import urllib.parse as urlparse\n",
+    "\n",
     "from aiida.orm import load_node\n",
-    "from aiidalab_widgets_base import ProcessFollowerWidget, ProgressBarWidget, ProcessReportWidget\n",
-    "from aiidalab_widgets_base import ProcessInputsWidget, ProcessOutputsWidget, ProcessCallStackWidget, RunningCalcJobOutputWidget"
+    "\n",
+    "from aiidalab_widgets_base import (\n",
+    "    ProcessCallStackWidget,\n",
+    "    ProcessFollowerWidget,\n",
+    "    ProcessInputsWidget,\n",
+    "    ProcessOutputsWidget,\n",
+    "    ProcessReportWidget,\n",
+    "    ProgressBarWidget,\n",
+    "    RunningCalcJobOutputWidget,\n",
+    ")"
    ]
   },
   {
@@ -52,10 +58,10 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "url = urlparse.urlsplit(jupyter_notebook_url)\n",
+    "url = urlparse.urlsplit(jupyter_notebook_url)  # noqa: F821\n",
     "url_dict = urlparse.parse_qs(url.query)\n",
-    "if 'id' in url_dict:\n",
-    "    pk = int(url_dict['id'][0])\n",
+    "if \"id\" in url_dict:\n",
+    "    pk = int(url_dict[\"id\"][0])\n",
     "    process = load_node(pk)\n",
     "else:\n",
     "    process = None"
@@ -101,8 +107,15 @@
    "source": [
     "follower = ProcessFollowerWidget(\n",
     "    process,\n",
-    "    followers=[ProgressBarWidget(), ProcessReportWidget(), ProcessCallStackWidget(), RunningCalcJobOutputWidget()], path_to_root=\"../../\", \n",
-    "    update_interval=2)\n",
+    "    followers=[\n",
+    "        ProgressBarWidget(),\n",
+    "        ProcessReportWidget(),\n",
+    "        ProcessCallStackWidget(),\n",
+    "        RunningCalcJobOutputWidget(),\n",
+    "    ],\n",
+    "    path_to_root=\"../../\",\n",
+    "    update_interval=2,\n",
+    ")\n",
     "display(follower)\n",
     "follower.follow(detach=True)"
    ]

diff --git a/notebooks/process_list.ipynb b/notebooks/process_list.ipynb
@@ -38,9 +38,10 @@
    "outputs": [],
    "source": [
     "import ipywidgets as ipw\n",
-    "from aiidalab_widgets_base import ProcessListWidget\n",
+    "from plumpy import ProcessState\n",
     "from traitlets import dlink\n",
-    "from plumpy import ProcessState"
+    "\n",
+    "from aiidalab_widgets_base import ProcessListWidget"
    ]
   },
   {
@@ -51,63 +52,68 @@
    "source": [
     "process_list = ProcessListWidget(path_to_root=\"../../\")\n",
     "\n",
-    "past_days_widget = ipw.IntText(value=7, description='Past days:')\n",
-    "dlink((past_days_widget, 'value'), (process_list, 'past_days'))\n",
+    "past_days_widget = ipw.IntText(value=7, description=\"Past days:\")\n",
+    "dlink((past_days_widget, \"value\"), (process_list, \"past_days\"))\n",
     "\n",
     "\n",
     "all_days_checkbox = ipw.Checkbox(description=\"All days\", value=False)\n",
-    "dlink((all_days_checkbox, 'value'), (past_days_widget, 'disabled'))\n",
-    "dlink((all_days_checkbox, 'value'), (process_list, 'past_days'), transform=lambda v: -1 if v else past_days_widget.value)\n",
+    "dlink((all_days_checkbox, \"value\"), (past_days_widget, \"disabled\"))\n",
+    "dlink(\n",
+    "    (all_days_checkbox, \"value\"),\n",
+    "    (process_list, \"past_days\"),\n",
+    "    transform=lambda v: -1 if v else past_days_widget.value,\n",
+    ")\n",
     "\n",
     "incoming_node_widget = ipw.Text(\n",
-    "    description='Incoming node:',\n",
-    "    style={'description_width': 'initial'}\n",
+    "    description=\"Incoming node:\", style={\"description_width\": \"initial\"}\n",
     ")\n",
-    "dlink((incoming_node_widget, 'value'), (process_list, 'incoming_node'))\n",
+    "dlink((incoming_node_widget, \"value\"), (process_list, \"incoming_node\"))\n",
     "\n",
     "\n",
     "outgoing_node_widget = ipw.Text(\n",
-    "    description='Outgoing node:',\n",
-    "    style={'description_width': 'initial'}\n",
+    "    description=\"Outgoing node:\", style={\"description_width\": \"initial\"}\n",
     ")\n",
-    "dlink((outgoing_node_widget, 'value'), (process_list, 'outgoing_node'))\n",
+    "dlink((outgoing_node_widget, \"value\"), (process_list, \"outgoing_node\"))\n",
     "\n",
     "\n",
     "available_states = [state.value for state in ProcessState]\n",
-    "process_state_widget = ipw.SelectMultiple(options=available_states,\n",
-    "                                        value=available_states,\n",
-    "                                        description='Process State:',\n",
-    "                                        style={'description_width': 'initial'},\n",
-    "                                        disabled=False)\n",
-    "dlink((process_state_widget, 'value'), (process_list, 'process_states'))\n",
+    "process_state_widget = ipw.SelectMultiple(\n",
+    "    options=available_states,\n",
+    "    value=available_states,\n",
+    "    description=\"Process State:\",\n",
+    "    style={\"description_width\": \"initial\"},\n",
+    "    disabled=False,\n",
+    ")\n",
+    "dlink((process_state_widget, \"value\"), (process_list, \"process_states\"))\n",
     "\n",
     "process_label_widget = ipw.Text(\n",
-    "    description='Process label:',\n",
-    "    style={'description_width': 'initial'}\n",
+    "    description=\"Process label:\", style={\"description_width\": \"initial\"}\n",
     ")\n",
-    "dlink((process_label_widget, 'value'), (process_list, 'process_label'))\n",
+    "dlink((process_label_widget, \"value\"), (process_list, \"process_label\"))\n",
     "\n",
     "description_contains_widget = ipw.Text(\n",
-    "    description='Description contains:',\n",
-    "    style={'description_width': 'initial'}\n",
+    "    description=\"Description contains:\", style={\"description_width\": \"initial\"}\n",
     ")\n",
-    "dlink((description_contains_widget, 'value'), (process_list, 'description_contains'))\n",
+    "dlink((description_contains_widget, \"value\"), (process_list, \"description_contains\"))\n",
     "\n",
     "display(\n",
-    "    ipw.HBox([\n",
-    "        ipw.VBox([past_days_widget, process_state_widget]),\n",
-    "        ipw.VBox(\n",
-    "            [\n",
-    "                all_days_checkbox,\n",
-    "                incoming_node_widget,\n",
-    "                outgoing_node_widget,\n",
-    "                process_label_widget,\n",
-    "                description_contains_widget\n",
-    "            ],\n",
-    "            layout={'margin': '0px 0px 0px 40px'}\n",
-    "        )\n",
-    "    ]),\n",
-    "    process_list)"
+    "    ipw.HBox(\n",
+    "        [\n",
+    "            ipw.VBox([past_days_widget, process_state_widget]),\n",
+    "            ipw.VBox(\n",
+    "                [\n",
+    "                    all_days_checkbox,\n",
+    "                    incoming_node_widget,\n",
+    "                    outgoing_node_widget,\n",
+    "                    process_label_widget,\n",
+    "                    description_contains_widget,\n",
+    "                ],\n",
+    "                layout={\"margin\": \"0px 0px 0px 40px\"},\n",
+    "            ),\n",
+    "        ]\n",
+    "    ),\n",
+    "    process_list,\n",
+    ")"
    ]
   },
   {

diff --git a/notebooks/structures.ipynb b/notebooks/structures.ipynb
@@ -57,10 +57,11 @@
     "            title=\"From Examples\",\n",
     "            examples=[\n",
     "                (\"Silicon oxide\", \"../miscellaneous/structures/SiO2.xyz\"),\n",
-    "                (\"Silicon\", \"../miscellaneous/structures/Si.xyz\")\n",
-    "            ]),\n",
+    "                (\"Silicon\", \"../miscellaneous/structures/Si.xyz\"),\n",
+    "            ],\n",
+    "        ),\n",
     "    ],\n",
-    "    editors = [\n",
+    "    editors=[\n",
     "        awb.BasicStructureEditor(title=\"Basic Editor\"),\n",
     "        awb.BasicCellEditor(title=\"Basic Cell Editor\"),\n",
     "    ],\n",