Update GH pages deployment (grimme-lab#106)

Author: awvwgk

.github/workflows/docs.yml

@@ -1,23 +1,45 @@
 name: docs
 
-on: [push, pull_request]
+on:
+  push:
+    branches: [main]
+    tags: ['*']
+  pull_request:
+
+# Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued.
+concurrency:
+  group: pages-${{ github.ref }}
+  cancel-in-progress: true
 
 jobs:
-  build-and-deploy:
+  build:
     runs-on: ubuntu-latest
     steps:
-    - uses: actions/checkout@v2
-    - uses: actions/setup-python@v1
+    - uses: actions/checkout@v4
+    - uses: actions/setup-python@v5
       with:
         python-version: '3.x'
     - name: Install dependencies
       run: pip install ford
     - name: Build Documentation
       run: ford docs.md
-    - uses: JamesIves/github-pages-deploy-action@3.7.1
-      if: github.event_name == 'push' && github.repository == 'grimme-lab/mctc-lib' && ( startsWith( github.ref, 'refs/tags/' ) || github.ref == 'refs/heads/main' )
+    - name: Upload artifact
+      if: github.event_name == 'push' && github.repository == 'grimme-lab/mctc-lib'
+      uses: actions/upload-pages-artifact@v3
       with:
-        GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
-        BRANCH: gh-pages
-        FOLDER: _docs
-        CLEAN: true
+        path: _docs
+
+  deploy:
+    if: github.event_name == 'push' && github.repository == 'grimme-lab/mctc-lib'
+    needs: build
+    runs-on: ubuntu-latest
+    permissions:
+      pages: write
+      id-token: write
+    environment:
+      name: github-pages
+      url: ${{ steps.deployment.outputs.page_url }}
+    steps:
+    - name: Deploy to GitHub Pages
+      id: deployment
+      uses: actions/deploy-pages@v4