[pre-commit.ci] pre-commit autoupdate (#580)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.2.2 → v0.3.4](astral-sh/ruff-pre-commit@v0.2.2...v0.3.4)
- [github.com/sirosen/check-jsonschema: 0.27.3 → 0.28.1](python-jsonschema/check-jsonschema@0.27.3...0.28.1)
- [github.com/kynan/nbstripout: 0.6.1 → 0.7.1](kynan/nbstripout@0.6.1...0.7.1)

* Run `apt-get update` to resolve povray install flakiness?
* Don't specify python version in matrix for test-notebooks
* Bump uv to 0.1.27

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Daniel Hollas <[email protected]>

.github/workflows/ci.yml

@@ -23,7 +23,6 @@ jobs:
         strategy:
             matrix:
                 browser: [Chrome, Firefox]
-                python-version: ['3.10']
                 aiida-core-version: [2.1.2, 2.4.3]          # test on the latest and the oldest supported version
             fail-fast: false
 
@@ -38,10 +37,10 @@ jobs:
             - name: Set up Python
               uses: actions/setup-python@v5
               with:
-                  python-version: ${{ matrix.python-version }}
+                  python-version: '3.10'
 
             - name: Install uv
-              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.24/uv-installer.sh | sh
+              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.27/uv-installer.sh | sh
 
             - name: Install package test dependencies
               # Notebook tests happen in the container, here we only need to install
@@ -101,15 +100,15 @@ jobs:
               uses: actions/checkout@v4
 
             - name: Install povray
-              run: sudo apt-get install povray
+              run: sudo apt-get update && sudo apt-get install povray
 
             - name: Set up Python
               uses: actions/setup-python@v5
               with:
                   python-version: ${{ matrix.python-version }}
 
             - name: Install uv
-              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.24/uv-installer.sh | sh
+              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.27/uv-installer.sh | sh
 
             - name: Install package
             # NOTE: uv (unlike pip) does not compile python to bytecode after install.

.pre-commit-config.yaml

@@ -13,7 +13,7 @@ repos:
             exclude: miscellaneous/structures
 
     - repo: https://github.com/astral-sh/ruff-pre-commit
-      rev: v0.2.2
+      rev: v0.3.4
       hooks:
           - id: ruff-format
             exclude: ^docs/.*
@@ -26,11 +26,11 @@ repos:
           - id: yamlfmt
 
     - repo: https://github.com/sirosen/check-jsonschema
-      rev: 0.27.3
+      rev: 0.28.1
       hooks:
           - id: check-github-workflows
 
     - repo: https://github.com/kynan/nbstripout
-      rev: 0.6.1
+      rev: 0.7.1
       hooks:
           - id: nbstripout

aiidalab_widgets_base/__init__.py

@@ -1,4 +1,5 @@
 """Reusable widgets for AiiDAlab applications."""
+
 from aiida.manage import get_profile
 
 _WARNING_TEMPLATE = """

aiidalab_widgets_base/bug_report.py

@@ -4,6 +4,7 @@
 
     * Carl Simon Adorf <[email protected]>
 """
+
 from __future__ import annotations
 
 import base64

aiidalab_widgets_base/data/__init__.py

@@ -1,4 +1,5 @@
-"""Useful functions that provide access to some data. """
+"""Useful functions that provide access to some data."""
+
 import ipywidgets as ipw
 import numpy as np
 from ase import Atom, Atoms

aiidalab_widgets_base/databases.py

@@ -1,4 +1,5 @@
 """Widgets that allow to query online databases."""
+
 import re
 
 import ase

aiidalab_widgets_base/elns.py

@@ -147,15 +147,15 @@ def _observe_node(self, _=None):
 
     def send_to_eln(self, _=None):
         if self.eln and self.eln.is_connected:
-            self.message.value = f"\u29D7 Sending data to {self.eln.eln_instance}..."
+            self.message.value = f"\u29d7 Sending data to {self.eln.eln_instance}..."
             with requests_cache.disabled():
                 # Since the cache is enabled in AiiDAlab, we disable it here to get correct results.
                 self.eln.export_data()
             self.message.value = (
                 f"\u2705 The data were successfully sent to {self.eln.eln_instance}."
             )
         else:
-            self.message.value = f"""\u274C Something isn't right! We were not able to send the data to the "<strong>{self.eln.eln_instance}</strong>" ELN instance. Please follow <a href="{self.path_to_root}/aiidalab-widgets-base/notebooks/eln_configure.ipynb" target="_blank">the link</a> to update the ELN's configuration."""
+            self.message.value = f"""\u274c Something isn't right! We were not able to send the data to the "<strong>{self.eln.eln_instance}</strong>" ELN instance. Please follow <a href="{self.path_to_root}/aiidalab-widgets-base/notebooks/eln_configure.ipynb" target="_blank">the link</a> to update the ELN's configuration."""
 
     def handle_output(self, _=None):
         with self._output:
@@ -273,7 +273,7 @@ def check_connection(self, _=None):
             if self.eln.is_connected:
                 self.my_output.value = "\u2705 Connected."
                 return
-        self.my_output.value = f"\u274C Not connected. {err_message}"
+        self.my_output.value = f"\u274c Not connected. {err_message}"
 
     def display_eln_config(self, value=None):
         """Display ELN configuration specific to the selected type of ELN."""

aiidalab_widgets_base/export.py

@@ -1,4 +1,5 @@
 """Widgets to manage AiiDA export."""
+
 import os
 
 import ipywidgets as ipw

aiidalab_widgets_base/misc.py

@@ -1,4 +1,5 @@
 """Some useful classes used acrross the repository."""
+
 import io
 import tokenize
 

aiidalab_widgets_base/nodes.py

@@ -1,4 +1,5 @@
 """Widgets to work with AiiDA nodes."""
+
 import functools
 
 import ipytree

aiidalab_widgets_base/process.py

@@ -1,4 +1,5 @@
 """Widgets to work with processes."""
+
 # pylint: disable=no-self-use
 # Built-in imports
 from __future__ import annotations

aiidalab_widgets_base/structures.py

@@ -1,4 +1,5 @@
 """Module to provide functionality to import structures."""
+
 import datetime
 import functools
 import io

aiidalab_widgets_base/utils/__init__.py

@@ -1,4 +1,5 @@
 """Some utility functions used acrross the repository."""
+
 import threading
 from enum import Enum
 from typing import Any

aiidalab_widgets_base/viewers.py

@@ -672,14 +672,14 @@ def _observe_cell(self, _=None):
                 *self.cell.array[2]
             )
 
-            self.cell_a_length.value = "|<i><b>a</b></i>|: {:.4f}".format(
-                self.cell.lengths()[0]
+            self.cell_a_length.value = (
+                f"|<i><b>a</b></i>|: {self.cell.lengths()[0]:.4f}"
             )
-            self.cell_b_length.value = "|<i><b>b</b></i>|: {:.4f}".format(
-                self.cell.lengths()[1]
+            self.cell_b_length.value = (
+                f"|<i><b>b</b></i>|: {self.cell.lengths()[1]:.4f}"
             )
-            self.cell_c_length.value = "|<i><b>c</b></i>|: {:.4f}".format(
-                self.cell.lengths()[2]
+            self.cell_c_length.value = (
+                f"|<i><b>c</b></i>|: {self.cell.lengths()[2]:.4f}"
             )
 
             self.cell_alpha.value = f"&alpha;: {self.cell.angles()[0]:.4f}"

aiidalab_widgets_base/wizard.py

@@ -4,6 +4,7 @@
 
     * Carl Simon Adorf <[email protected]>
 """
+
 import enum
 
 import ipywidgets as ipw

notebooks/computational_resources.ipynb

@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "cbdc6f33",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Computational resources setup widget"
@@ -11,7 +11,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "4013ce60",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -24,7 +24,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "864bd498",
+   "id": "2",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -36,7 +36,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "53f49d32",
+   "id": "3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -46,7 +46,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "56116f88",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -58,7 +58,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "b75b6687",
+   "id": "5",
    "metadata": {},
    "outputs": [],
    "source": [

notebooks/eln_configure.ipynb

@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "understanding-authority",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Configure connection to ELN\n",
@@ -13,7 +13,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "realistic-plant",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -26,7 +26,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "cc68ce6f",
+   "id": "2",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +38,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "celtic-norwegian",
+   "id": "3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -48,7 +48,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "humanitarian-editing",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [

notebooks/eln_import.ipynb

@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "af4d4a45",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Import from ELN\n",
@@ -13,7 +13,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "annual-documentary",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -26,7 +26,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "ea069627",
+   "id": "2",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +38,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "celtic-norwegian",
+   "id": "3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -51,7 +51,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "through-delay",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -64,7 +64,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "worse-elevation",
+   "id": "5",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -77,7 +77,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "understanding-authority",
+   "id": "6",
    "metadata": {},
    "source": [
     "## Selected object:"
@@ -86,7 +86,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "humanitarian-editing",
+   "id": "7",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -96,7 +96,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "center-pound",
+   "id": "8",
    "metadata": {},
    "source": [
     "## What's next?"
@@ -105,7 +105,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "portable-cyprus",
+   "id": "9",
    "metadata": {},
    "outputs": [],
    "source": [

notebooks/wizard_apps.ipynb

@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "8d95a980",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Pizza order example\n",
@@ -13,7 +13,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "b5256919",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -25,7 +25,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "thirty-catholic",
+   "id": "2",
    "metadata": {},
    "outputs": [],
    "source": [