Cancel concurrent CI runs to save budget (#3263)

* add concurrency:
  group: ${{ github.workflow }}-${{ github.ref }}
  cancel-in-progress: true

* add commit hook https://github.com/adamchainz/blacken-docs

* use assignment for single-key dict.update()

* drop useless np.array calls in Lattice.selling_dist

Author: janosh

.github/workflows/test.yml

@@ -22,6 +22,10 @@ on:
 permissions:
   contents: read
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
 jobs:
   test:
     # prevent this action from running on forks

.pre-commit-config.yaml

@@ -45,6 +45,11 @@ repos:
         args: [--no-pycodestyle]
       - id: double-quote-cython-strings
 
+  - repo: https://github.com/adamchainz/blacken-docs
+    rev: 1.16.0
+    hooks:
+      - id: blacken-docs
+
   - repo: https://github.com/igorshubovych/markdownlint-cli
     rev: v0.35.0
     hooks:

docs/compatibility.md

@@ -296,7 +296,7 @@ def _get_2d_plot(self, elements: list[Element], label_stable: bool | None, eleme
         layout = plotly_layouts["default_layout_2d"].copy()
         layout.update(self._get_axis_layout_dict(elements))
         if label_stable:
-            layout.update({"annotations": annotations})
+            layout["annotations"] = annotations
 
         data = self._get_2d_domain_lines(draw_domains)
 
@@ -367,7 +367,7 @@ def _get_3d_plot(
         layout["scene"]["annotations"] = None
 
         if label_stable:
-            layout["scene"].update({"annotations": annotations})
+            layout["scene"]["annotations"] = annotations
         layout["scene_camera"] = {
             "eye": {"x": 5, "y": 5, "z": 5},  # zoomed out
             "projection": {"type": "orthographic"},
@@ -565,7 +565,7 @@ def _get_annotation(ann_loc: np.ndarray, formula: str) -> dict[str, str | float]
         annotation = plotly_layouts["default_annotation_layout"].copy()
         annotation.update({"x": ann_loc[0], "y": ann_loc[1], "text": formula})
         if len(ann_loc) == 3:
-            annotation.update({"z": ann_loc[2]})
+            annotation["z"] = ann_loc[2]
         return annotation
 
     @staticmethod

docs/index.md

@@ -943,9 +943,9 @@ def draw_graph_to_file(
                     # edge has been added
                     green_edges.append((u, v, k))
             for u, v, k in green_edges:
-                g.edges[u, v, k].update({"color_uv": "#00ff00"})
+                g.edges[u, v, k]["color_uv"] = "#00ff00"
             for u, v, k in red_edges:
-                g.edges[u, v, k].update({"color_uv": "#ff0000"})
+                g.edges[u, v, k]["color_uv"] = "#ff0000"
 
         basename, extension = os.path.splitext(filename)
         extension = extension[1:]
@@ -2608,9 +2608,9 @@ def draw_graph_to_file(
                     # edge has been added
                     green_edges.append((u, v, k))
             for u, v, k in green_edges:
-                g.edges[u, v, k].update({"color_uv": "#00ff00"})
+                g.edges[u, v, k]["color_uv"] = "#00ff00"
             for u, v, k in red_edges:
-                g.edges[u, v, k].update({"color_uv": "#ff0000"})
+                g.edges[u, v, k]["color_uv"] = "#ff0000"
 
         basename, extension = os.path.splitext(filename)
         extension = extension[1:]

pymatgen/analysis/chempot_diagram.py

@@ -2617,10 +2617,10 @@ def _create_plotly_figure_layout(self, label_stable=True):
                 }
         elif self._dim == 3 and self.ternary_style == "3d":
             layout = plotly_layouts["default_ternary_3d_layout"].copy()
-            layout["scene"].update({"annotations": annotations_list})
+            layout["scene"]["annotations"] = annotations_list
         elif self._dim == 4:
             layout = plotly_layouts["default_quaternary_layout"].copy()
-            layout["scene"].update({"annotations": annotations_list})
+            layout["scene"]["annotations"] = annotations_list
 
         return layout
 
@@ -2956,7 +2956,7 @@ def _create_plotly_element_annotations(self):
                         if entry.composition.is_element:
                             z = 0.9 * self._min_energy  # place label 10% above base
 
-                annotation.update({"z": z})
+                annotation["z"] = z
 
             annotations_list.append(annotation)
 

pymatgen/analysis/graphs.py

@@ -403,13 +403,12 @@ def reduced_formula(self) -> str:
 
     @property
     def hill_formula(self) -> str:
-        """:return: Hill formula. The Hill system (or Hill notation) is a system
-        of writing empirical chemical formulas, molecular chemical formulas and
-        components of a condensed formula such that the number of carbon atoms
-        in a molecule is indicated first, the number of hydrogen atoms next,
-        and then the number of all other chemical elements subsequently, in
-        alphabetical order of the chemical symbols. When the formula contains
-        no carbon, all the elements, including hydrogen, are listed
+        """The Hill system (or Hill notation) is a system of writing empirical chemical
+        formulas, molecular chemical formulas and components of a condensed formula such
+        that the number of carbon atoms in a molecule is indicated first, the number of
+        hydrogen atoms next, and then the number of all other chemical elements
+        subsequently, in alphabetical order of the chemical symbols. When the formula
+        contains no carbon, all the elements, including hydrogen, are listed
         alphabetically.
         """
         elem_comp = self.element_composition