Update GitHub CI

.github/workflows/publish_to_pypi.yml

@@ -1,34 +1,99 @@
 name: Publish CADET-RDM to PyPI
 
 on:
-  release:
-    types: [published]
+  push:
+    branches:
+      - master
+      - dev
+      - test_ci
+    tags:
+      - 'v*.*.*' # Trigger build stage only on version tags
+  pull_request:
+    branches:
+      - '**' # Trigger test stage on pull requests to any branch
 
 jobs:
-  build-and-publish:
-    name: Build and publish CADET-RDM to PyPI
-    runs-on: ubuntu-latest
+  test-stage:
+    runs-on: ${{ matrix.os }}
+
+    defaults:
+      run:
+        shell: bash -l {0}
+
+    strategy:
+      matrix:
+        os: [ ubuntu-latest ]
+        python-version: [ "3.10", "3.11", "3.12" ]
+        include:
+          - os: windows-latest
+            python-version: "3.12"
+          - os: macos-12
+            python-version: "3.12"
+
     steps:
-      - uses: actions/checkout@master
-      - name: Set up Python 3.10
+      - name: Checkout Code
+        uses: actions/checkout@master
+
+      - name: Set up Python
         uses: actions/setup-python@v4
         with:
-          python-version: "3.10"
-      - name: Install pypa/build
-        run: >-
-          python -m
-          pip install
-          build
-          --user
-      - name: Build a binary wheel and a source tarball
-        run: >-
-          python -m
-          build
-          --sdist
-          --wheel
-          --outdir dist/
-          .
-      - name: Publish distribution PyPI
-        uses: pypa/gh-action-pypi-publish@release/v1
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install Git LFS
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y git-lfs
+          git lfs install
+
+      - name: Configure Git  # This is required for the test suite, which checks git credentials
+        run: |
+          git config --global user.email "[email protected]"
+          git config --global user.name "Your Name"
+
+      - name: Set up Virtual Environment
+        run: |
+          python -m venv testing
+          source testing/bin/activate
+
+      - name: Install Dependencies
+        run: |
+          pip install -U pytest setuptools
+          pip install .[testing]
+
+      - name: Verify Installation
+        run: |
+          pip list
+          ls -l
+
+      - name: Run Tests
+        run: |
+          pytest tests -m "not server_api"
+
+  build-release:
+    name: Build and Upload Release
+    runs-on: ubuntu-latest
+    needs: test-stage # Ensure this job runs only after test-stage succeeds
+    if: startsWith(github.ref, 'refs/tags/v')
+    steps:
+      - name: Checkout Code
+        uses: actions/checkout@v3
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
         with:
-          password: ${{ secrets.PYPI_API_TOKEN }}
+          python-version: 3.12
+
+      - name: Install Build Tools
+        run: |
+          pip install -U build twine
+
+      - name: Build the Package
+        run: |
+          python -m build
+
+      - name: Upload to PyPI
+        env:
+          TWINE_USERNAME: __token__
+          TWINE_PASSWORD: ${{ secrets.TWINE_TOKEN }}
+        run: |
+          python -m twine upload dist/*

pyproject.toml

@@ -37,9 +37,9 @@ rdm = "cadetrdm.cli_integration:cli"
 
 
 [project.urls]
-homepage = "https://jugit.fz-juelich.de/IBG-1/ModSim/cadet/CADET-RDM"
+homepage = "https://github.com/cadet/CADET-RDM"
 documentation = "https://cadet-rdm.readthedocs.io/en/latest/index.html"
-"Bug Tracker" = "https://jugit.fz-juelich.de/IBG-1/ModSim/cadet/CADET-RDM/Issues"
+"Bug Tracker" = "https://github.com/cadet/CADET-RDM/issues"
 
 
 [project.optional-dependencies]