Merge pull request #395 from materialsproject/fix-pyproject

Fix `pyproject.toml` malformed `[build-system] requires`

Author: janosh

.github/workflows/release.yml

@@ -34,7 +34,7 @@ jobs:
           python${{ matrix.python-version }} -m pip install -r requirements/ubuntu-latest_py${{ matrix.python-version }}_extras.txt
           python${{ matrix.python-version }} -m pip install --upgrade pip
           python${{ matrix.python-version }} -m pip install --no-deps .[server]
-          
+
       - name: Build package
         run: python${{ matrix.python-version }} -m build
 

.pre-commit-config.yaml

@@ -11,7 +11,7 @@ exclude: ^(docs/.+|.*lock.*|jupyterlab-extension/.+|.*\.(svg|js|css))|_version.p
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.1.5
+    rev: v0.4.8
     hooks:
       - id: ruff
         args: [--fix, --ignore, D]
@@ -23,7 +23,7 @@ repos:
   #     - id: mypy
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.5.0
+    rev: v4.6.0
     hooks:
       - id: check-case-conflict
       - id: check-symlinks
@@ -33,14 +33,14 @@ repos:
       - id: trailing-whitespace
 
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.2.6
+    rev: v2.3.0
     hooks:
       - id: codespell
         stages: [commit, commit-msg]
         args: [--ignore-words-list, "nd,te,ois,dscribe", --check-filenames]
 
   - repo: https://github.com/kynan/nbstripout
-    rev: 0.6.1
+    rev: 0.7.1
     hooks:
       - id: nbstripout
         args: [--drop-empty-cells, --keep-output]

crystal_toolkit/apps/examples/tests/typing.py

@@ -16,42 +16,33 @@ class DashDuo(Protocol):
 
     # driver = ...  # selenium.webdriver.remote.WebDriver
 
-    def start_server(self, start_server) -> None:
-        ...
+    def start_server(self, start_server) -> None: ...
 
-    def find_element(self, selector: str) -> dash.development.base_component.Component:
-        ...
+    def find_element(
+        self, selector: str
+    ) -> dash.development.base_component.Component: ...
 
     def wait_for_text_to_equal(
         self, selector: str, text: str, timeout: int | None = None
-    ) -> None:
-        ...
+    ) -> None: ...
 
-    def get_logs(self) -> list[str]:
-        ...
+    def get_logs(self) -> list[str]: ...
 
-    def clear_storage(self) -> None:
-        ...
+    def clear_storage(self) -> None: ...
 
-    def percy_snapshot(self, name: str, wait_for_callbacks: bool = False) -> None:
-        ...
+    def percy_snapshot(self, name: str, wait_for_callbacks: bool = False) -> None: ...
 
-    def multiple_click(self, selector: str, clicks: int) -> None:
-        ...
+    def multiple_click(self, selector: str, clicks: int) -> None: ...
 
-    def wait_for_element(self, selector: str, timeout: int | None = None) -> None:
-        ...
+    def wait_for_element(self, selector: str, timeout: int | None = None) -> None: ...
 
-    def take_snapshot(self, name: str) -> None:
-        ...
+    def take_snapshot(self, name: str) -> None: ...
 
-    def wait_for_page(self, url: str | None = None, timeout: int = 10) -> None:
-        ...
+    def wait_for_page(self, url: str | None = None, timeout: int = 10) -> None: ...
 
     def find_elements(
         self, selector: str
-    ) -> list[dash.development.base_component.Component]:
-        ...
+    ) -> list[dash.development.base_component.Component]: ...
 
     def select_dcc_dropdown(
         self,

crystal_toolkit/components/bandstructure.py

@@ -523,7 +523,6 @@ def get_dos_traces(
             raise PreventUpdate
 
         # Projected DOS
-        count = 0
         colors = [
             "#d62728",  # brick red
             "#2ca02c",  # cooked asparagus green
@@ -534,7 +533,7 @@ def get_dos_traces(
             "#e377c2",  # raspberry yogurt pink
         ]
 
-        for label in proj_data:
+        for count, label in enumerate(proj_data):
             if spin_polarized:
                 trace = {
                     dos_axis: -1.0
@@ -565,8 +564,6 @@ def get_dos_traces(
 
             dos_traces.append(trace)
 
-            count += 1
-
         return dos_traces
 
     @staticmethod

crystal_toolkit/components/phonon.py

@@ -174,7 +174,7 @@ def layout(self) -> html.Div:
 
     @staticmethod
     def _get_ph_bs_dos(
-        data: dict[str, Any] | None
+        data: dict[str, Any] | None,
     ) -> tuple[PhononBandStructureSymmLine, CompletePhononDos]:
         data = data or {}
 
@@ -399,7 +399,6 @@ def get_ph_dos_traces(dos: CompletePhononDos, freq_range: tuple[float, float]):
         dos_traces.append(trace_tdos)
 
         # Projected DOS
-        count = 0
         colors = [
             "#d62728",  # brick red
             "#2ca02c",  # cooked asparagus green
@@ -411,7 +410,7 @@ def get_ph_dos_traces(dos: CompletePhononDos, freq_range: tuple[float, float]):
         ]
 
         ele_dos = dos.get_element_dos()  # project DOS onto elements
-        for label in ele_dos:
+        for count, label in enumerate(ele_dos):
             spin_up_label = str(label)
 
             trace = {
@@ -426,8 +425,6 @@ def get_ph_dos_traces(dos: CompletePhononDos, freq_range: tuple[float, float]):
 
             dos_traces.append(trace)
 
-            count += 1
-
         return dos_traces
 
     @staticmethod

crystal_toolkit/core/jupyter.py

@@ -31,12 +31,10 @@ class _JupyterRenderer:
 
     @staticmethod
     def _find_available_port():
-        """
-        Find an available port.
+        """Find an available port.
 
         Thank you Mihai Capotă, https://stackoverflow.com/a/61685162
         """
-
         import socketserver
 
         with socketserver.TCPServer(("localhost", 0), None) as s:
@@ -46,10 +44,7 @@ def _find_available_port():
     # check docs about proxy settings
 
     def run(self, layout):
-        """
-        Run Dash app.
-        """
-
+        """Run Dash app."""
         app = Dash(plugins=[CrystalToolkitPlugin(layout=layout)])
 
         port = SETTINGS.JUPYTER_EMBED_PORT or self._find_available_port()
@@ -63,10 +58,7 @@ def run(self, layout):
             app.run(port=free_port, jupyter_mode=SETTINGS.JUPYTER_EMBED_MODE)
 
     def display(self, obj):
-        """
-        Display a provided object.
-        """
-
+        """Display a provided object."""
         for kls, component in self.registry.items():
             if isinstance(obj, kls):
                 layout = ctl.Block(
@@ -79,35 +71,27 @@ def display(self, obj):
 
 
 def _to_plotly_json(self):
-    """
-    Patch to ensure MSONable objects can be serialized into JSON by plotly tools.
-    """
+    """Patch to ensure MSONable objects can be serialized into JSON by plotly tools."""
     return self.as_dict()
 
 
 def _display_json(self, **kwargs):
-    """
-    Display JSON representation of an MSONable object inside Jupyter.
-    """
+    """Display JSON representation of an MSONable object inside Jupyter."""
     from IPython.display import JSON
 
     JSON(self.as_dict(), **kwargs)
 
 
 def _repr_mimebundle_(self, include=None, exclude=None):
-    """
-    Method used by Jupyter. A default for MSONable objects to return JSON representation.
-    """
+    """Method used by Jupyter. A default for MSONable objects to return JSON representation."""
     return {
         "application/json": self.as_dict(),
         "text/plain": repr(self),
     }
 
 
 def _ipython_display_(self):
-    """
-    Display MSONable objects using a Crystal Toolkit component, if available.
-    """
+    """Display MSONable objects using a Crystal Toolkit component, if available."""
     from IPython.display import publish_display_data
 
     if any(isinstance(self, x) for x in _JupyterRenderer.registry):
@@ -140,11 +124,9 @@ def _ipython_display_(self):
 
 
 def patch_msonable():
-    """
-    Patch MSONable to allow MSONable objects to render in Jupyter
+    """Patch MSONable to allow MSONable objects to render in Jupyter
     environments using Crystal Toolkit components.
     """
-
     from monty.json import MSONable
 
     MSONable.to_plotly_json = _to_plotly_json

crystal_toolkit/core/mpcomponent.py

@@ -32,7 +32,7 @@
 CT_NAMESPACE = "CT"
 
 
-class MPComponent(ABC):
+class MPComponent(ABC):  # noqa: B024
     """The abstract base class for an MPComponent.
 
     MPComponent is designed to help render an MSONable object.

crystal_toolkit/core/plugin.py

@@ -11,8 +11,7 @@
 
 
 class CrystalToolkitPlugin:
-    """
-    Enables Crystal Toolkit components to work with your Dash app.
+    """Enables Crystal Toolkit components to work with your Dash app.
 
     This is a replacement for the previous `register_crystal_toolkit`
     function, to instead use Dash's native plugin system.
@@ -27,8 +26,7 @@ class CrystalToolkitPlugin:
     def __init__(
         self, layout, cache: Cache | None = None, use_default_css=True
     ) -> None:
-        """
-        Provide your initial app layout.
+        """Provide your initial app layout.
 
         Provide a cache to improve performance. If running
         in debug mode, the cache will be automatically disabled. If
@@ -51,9 +49,7 @@ def __init__(
         self.use_default_css = use_default_css
 
     def plug(self, app: Dash):
-        """
-        Initialize Crystal Toolkit plugin for the specified Dash app.
-        """
+        """Initialize Crystal Toolkit plugin for the specified Dash app."""
         self.app = app
         self.cache.init_app(app.server)
 
@@ -83,15 +79,13 @@ def plug(self, app: Dash):
                 app.config.external_stylesheets.append(font_awesome_css)
 
     def crystal_toolkit_layout(self, layout) -> html.Div:
-        """
-        Crystal Toolkit currently requires a set of dcc.Store components
+        """Crystal Toolkit currently requires a set of dcc.Store components
         to be added to the layout in order to function.
 
         Eventually, it is hoped to remove the need for this method through
         use of All-in-One components. All-in-One components were not yet
         available when Crystal Toolkit was first developed.
         """
-
         from crystal_toolkit.core.mpcomponent import MPComponent
 
         # Crystal Toolkit has not been tested with dynamic layouts

crystal_toolkit/defaults.py

@@ -1,4 +1,5 @@
 """Populate the default values from the JSON file."""
+
 from __future__ import annotations
 
 import json

crystal_toolkit/helpers/asymptote_renderer.py

@@ -5,6 +5,7 @@
 TODO The code should also append a set of special points at the end in case the user wants to add
 more "hand drawn" features to the plot.
 """
+
 from __future__ import annotations
 
 import logging