test.yml remove unused pip caching

uv doesn't seem to benefit from caching:
actions/setup-python#822

bump ruff
clean up .github/workflows/jekyll-gh-pages.yml

Author: janosh

.github/workflows/jekyll-gh-pages.yml

@@ -1,15 +1,11 @@
-# Sample workflow for building and deploying a Jekyll site to GitHub Pages
 name: Deploy Jekyll with GitHub Pages dependencies preinstalled
 
 on:
-  # Runs on pushes targeting the default branch
   push:
     branches: ["master"]
+  workflow_dispatch: # enable manual workflow execution
 
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-# Sets permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages
+# Set permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages
 permissions:
   contents: read
   pages: write
@@ -22,25 +18,26 @@ concurrency:
   cancel-in-progress: false
 
 jobs:
-  # Build job
   build:
     # prevent this action from running on forks
     if: github.repository == 'materialsproject/pymatgen'
     runs-on: ubuntu-latest
     steps:
       - name: Checkout
         uses: actions/checkout@v4
+
       - name: Setup Pages
         uses: actions/configure-pages@v3
+
       - name: Build with Jekyll
         uses: actions/jekyll-build-pages@v1
         with:
           source: ./docs
           destination: ./_site
+
       - name: Upload artifact
         uses: actions/upload-pages-artifact@v2
 
-  # Deployment job
   deploy:
     environment:
       name: github-pages

.github/workflows/test.yml

@@ -50,13 +50,6 @@ jobs:
 
       - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v5
-        with:
-          python-version: ${{ matrix.python-version }}
-          cache: pip
-          cache-dependency-path: setup.py
-
-      - name: Install uv
-        run: pip install uv
 
       - name: Copy GULP to bin
         if: matrix.os == 'ubuntu-latest'
@@ -103,13 +96,13 @@ jobs:
           # TODO remove temporary fix. added since uv install torch is flaky.
           # track https://github.com/astral-sh/uv/issues/1921 for resolution
           pip install torch
-
+          pip install uv
           uv pip install numpy cython --system
 
           uv pip install -e '.[dev,optional]' --system
 
           # TODO remove next line installing ase from main branch when FrechetCellFilter is released
-          uv pip install --upgrade 'ase@git+https://gitlab.com/ase/ase' --system
+          uv pip install --upgrade 'git+https://gitlab.com/ase/ase' --system
 
       - name: pytest split ${{ matrix.split }}
         run: |

.pre-commit-config.yaml

@@ -8,7 +8,7 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.3.3
+    rev: v0.3.4
     hooks:
       - id: ruff
         args: [--fix, --unsafe-fixes]