Merge branch 'main' into docs-prettify

.github/workflows/pypi.yml

@@ -0,0 +1,31 @@
+on:
+    push:
+        tags:
+            - 'v*'
+
+jobs:
+    pypi-publish:
+      name: Upload release to PyPI
+      runs-on: ubuntu-latest
+      environment:
+        name: pypi
+        url: https://pypi.org/p/molecularnodes
+      permissions:
+        id-token: write
+      steps:
+        - name: Checkout
+          uses: actions/checkout@v4
+        - name: Set up Python
+          uses: actions/setup-python@v5
+          with:
+           python-version: '3.11'
+        - name: Install uv
+          uses: astral-sh/setup-uv@v4
+          with:
+            version: "latest"
+        - name: build
+          run: |
+            uv build
+
+        - name: Publish to PyPI  
+          uses: pypa/gh-action-pypi-publish@release/v1