Test source distribution and binary distribution (.whl) before release to PyPI

.github/workflows/issue-metrics.yml

@@ -26,7 +26,7 @@ jobs:
           # Calculate the last day of the previous month
           last_day=$(date -d "$first_day +1 month -1 day" +%Y-%m-%d)
 
-          #Set an environment variable with the date range
+          # Set an environment variable with the date range
           echo "$first_day..$last_day"
           echo "last_month=$first_day..$last_day" >> "$GITHUB_ENV"
 

.github/workflows/release.yml

@@ -1,4 +1,5 @@
-name: Release # makes PyPI releases
+# Make PyPI releases
+name: Release
 
 on:
   release:
@@ -26,12 +27,12 @@ jobs:
       - name: Check out repo
         uses: actions/checkout@v4
 
-      - uses: actions/setup-python@v5
-        name: Install Python
+      - name: Install Python
+        uses: actions/setup-python@v5
         with:
           python-version: "3.12"
 
-      - name: Build sdist
+      - name: Build source distribution
         run: |
           pip install build
           python -m build --sdist
@@ -66,7 +67,7 @@ jobs:
     needs: [build_wheels, build_sdist]
     runs-on: ubuntu-latest
     permissions:
-      # For pypi trusted publishing
+      # For PyPI trusted publishing
       id-token: write
     steps:
       - name: Set up Python
@@ -81,9 +82,12 @@ jobs:
           merge-multiple: true
           path: dist
 
-      - name: Publish to PyPi or TestPyPI
+      - name: Publish to PyPI or TestPyPI
         uses: pypa/gh-action-pypi-publish@release/v1
         with:
           skip-existing: true
           verbose: true
-          repository-url: ${{ github.event_name == 'workflow_dispatch' && github.event.inputs.task == 'test-release' && 'https://test.pypi.org/legacy/' || '' }}
+          repository-url: >
+            ${{ github.event_name == 'workflow_dispatch' &&
+            github.event.inputs.task == 'test-release' &&
+            'https://test.pypi.org/legacy/' || '' }}

.github/workflows/test.yml

@@ -71,7 +71,8 @@ jobs:
       - name: Install ubuntu-only conda dependencies
         if: matrix.config.os == 'ubuntu-latest'
         run: |
-          micromamba install -n pmg -c conda-forge bader enumlib openff-toolkit packmol pygraphviz tblite --yes
+          micromamba install -n pmg -c conda-forge bader enumlib \
+            openff-toolkit packmol pygraphviz tblite --yes
 
       - name: Install pymatgen and dependencies via uv
         run: |