bump deps + fix lints

fix misreported RMSD unit (is pymtgen cell volume per atom normalized RMSD, not in Å)

Author: janosh

.pre-commit-config.yaml

@@ -4,7 +4,7 @@ default_install_hook_types: [pre-commit, commit-msg]
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.15.0
+    rev: v0.15.6
     hooks:
       - id: ruff-check
         args: [--fix]
@@ -61,7 +61,7 @@ repos:
         pass_filenames: false
 
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.4.1
+    rev: v2.4.2
     hooks:
       - id: codespell
         stages: [pre-commit, commit-msg]
@@ -71,7 +71,7 @@ repos:
         additional_dependencies: [tomli]
 
   - repo: https://github.com/igorshubovych/markdownlint-cli
-    rev: v0.47.0
+    rev: v0.48.0
     hooks:
       - id: markdownlint
         # MD013: line too long
@@ -82,7 +82,7 @@ repos:
         exclude: changelog\.md$
 
   - repo: https://github.com/pre-commit/mirrors-eslint
-    rev: v10.0.0
+    rev: v10.0.3
     hooks:
       - id: eslint
         types: [file]
@@ -97,7 +97,7 @@ repos:
           - '@stylistic/eslint-plugin'
 
   - repo: https://github.com/python-jsonschema/check-jsonschema
-    rev: 0.36.1
+    rev: 0.37.0
     hooks:
       - id: check-jsonschema
         files: ^models/.+/.+\.yml$
@@ -108,7 +108,7 @@ repos:
       - id: check-github-actions
 
   - repo: https://github.com/crate-ci/typos
-    rev: v1.43.4
+    rev: v1.44.0
     hooks:
       - id: typos
         types: [text]

matbench_discovery/metrics/diatomics/__init__.py

@@ -245,7 +245,7 @@ def write_metrics_to_yaml(
         dict[str, str | float | None]: Mean metrics across all elements.
     """
     # Calculate mean metrics across all elements
-    mean_metrics = {
+    mean_metrics: dict[str, str | float | None] = {
         str(metric): float(
             f"{np.mean([elem_metrics[metric] for elem_metrics in metrics.values()]):.4}"
         )

scripts/evals/geo_opt.py

@@ -134,7 +134,7 @@
     points=False,
 )
 fig_rmsd.layout.xaxis.title = "Model"
-fig_rmsd.layout.yaxis.title = "RMSD (Å)"
+fig_rmsd.layout.yaxis.title = "RMSD (unitless)"
 fig_rmsd.update_traces(orientation="h", side="positive", width=1.8)
 
 # add annotation for mean for each model
@@ -332,16 +332,18 @@
         y=sampled_cumulative,
         name=f"{model} · {AUC=:.3}",
         mode="lines",
-        hovertemplate=f"<b>{model}</b><br>RMSD: %{{x:.3f}} Å<br>Cumulative: %{{y:.1%}}"
-        "<extra></extra>",
+        hovertemplate=(
+            f"<b>{model}</b><br>RMSD: %{{x:.3f}} (unitless)<br>"
+            "Cumulative: %{y:.1%}<extra></extra>"
+        ),
     )
 
 # sort by AUC
 fig_rmsd_cdf.data = sorted(
     fig_rmsd_cdf.data, key=lambda trace: -float(trace.name.split("AUC=")[1])
 )
 
-fig_rmsd_cdf.layout.xaxis.update(title="RMSD (Å)", range=[0, x_max])
+fig_rmsd_cdf.layout.xaxis.update(title="RMSD (unitless)", range=[0, x_max])
 fig_rmsd_cdf.layout.yaxis.update(title="Cumulative", tickformat=".0%", range=[0, 1])
 fig_rmsd_cdf.layout.legend = dict(y=0, xanchor="right", x=1)
 

site/package.json

@@ -25,41 +25,41 @@
   },
   "devDependencies": {
     "@rollup/plugin-yaml": "^4.1.2",
-    "@stylistic/eslint-plugin": "^5.8.0",
+    "@stylistic/eslint-plugin": "^5.10.0",
     "@sveltejs/adapter-static": "^3.0.10",
-    "@sveltejs/kit": "^2.51.0",
+    "@sveltejs/kit": "^2.55.0",
     "@sveltejs/vite-plugin-svelte": "^6.2.4",
     "@types/d3-array": "^3.2.2",
     "@types/d3-scale": "^4.0.9",
     "@types/d3-scale-chromatic": "^3.1.0",
     "@types/js-yaml": "^4.0.9",
     "@types/json-schema": "^7.0.15",
-    "@types/node": "^25.2.3",
-    "@vitest/coverage-v8": "^4.0.18",
+    "@types/node": "^25.5.0",
+    "@vitest/coverage-v8": "^4.1.0",
     "d3-array": "^3.2.4",
     "d3-scale": "^4.0.2",
     "d3-scale-chromatic": "^3.1.0",
-    "eslint": "^10.0.0",
-    "eslint-plugin-svelte": "^3.15.0",
-    "happy-dom": "^20.6.1",
+    "eslint": "^10.0.3",
+    "eslint-plugin-svelte": "^3.15.2",
+    "happy-dom": "^20.8.4",
     "js-yaml": "^4.1.1",
     "json-schema-to-typescript": "^15.0.4",
-    "matterviz": "^0.3.1",
-    "mdsvex": "^0.12.6",
+    "matterviz": "^0.3.2",
+    "mdsvex": "^0.12.7",
     "rehype-katex-svelte": "^1.2.0",
     "rehype-stringify": "^10.0.1",
     "remark-math": "3.0.1",
     "remark-parse": "^11.0.0",
     "remark-rehype": "^11.1.2",
-    "svelte": "^5.51.0",
-    "svelte-check-rs": "^0.9.2",
-    "svelte-multiselect": "^11.6.1",
+    "svelte": "^5.53.11",
+    "svelte-check-rs": "^0.9.5",
+    "svelte-multiselect": "^11.6.3",
     "svelte-preprocess": "^6.0.3",
-    "svelte-toc": "^0.6.2",
+    "svelte-toc": "^0.6.3",
     "typescript": "5.9.3",
-    "typescript-eslint": "^8.55.0",
+    "typescript-eslint": "^8.57.0",
     "unified": "^11.0.5",
     "vite": "^7.3.1",
-    "vitest": "^4.0.18"
+    "vitest": "^4.1.0"
   }
 }

site/src/app.css

@@ -72,6 +72,10 @@
   --tooltip-bg: var(--surface-bg);
   --tooltip-shadow: drop-shadow(0 1px 8px var(--shadow));
 
+  --dropdown-bg: var(--page-bg);
+  --dropdown-color: var(--text-color);
+  --dropdown-border: var(--border);
+
   --sms-margin: 1em auto;
   --sms-border: 1px solid var(--border);
   --sms-options-bg: var(--page-bg);