Add CI for doing a release (#113)

.github/workflows/build-release.yml

@@ -0,0 +1,38 @@
+name: Build and Release
+
+on:
+  push:
+    branches: [main]
+  pull_request:
+    # Check all PR
+
+jobs:
+  build:
+    name: Build distribution
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/project/torch-pme
+    permissions:
+      id-token: write
+
+    steps:
+    - uses: actions/checkout@v4
+    - name: setup Python
+      uses: actions/setup-python@v5
+      with:
+        python-version: "3.12"
+    - run: python -m pip install tox
+    - name: Build package
+      run: tox -e build
+    - name: Publish distribution to PyPI
+      if: startsWith(github.ref, 'refs/tags/v')
+      uses: pypa/gh-action-pypi-publish@release/v1
+    - name: Publish to GitHub release
+      if: startsWith(github.ref, 'refs/tags/v')
+      uses: softprops/action-gh-release@v2
+      with:
+        files: |
+          dist/*.tar.gz
+          dist/*.whl
+        prerelease: ${{ contains(github.ref, '-rc') }}

.github/workflows/docs.yml

@@ -16,17 +16,11 @@ jobs:
         uses: actions/setup-python@v5
         with:
           python-version: "3.12"
-
       - name: install dependencies
         run: |
           python -m pip install tox
-
       - name: build documentation
         run: tox -e docs
-        env:
-          # Use the CPU only version of torch when building/running the code
-          PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
-
       - name: put documentation in the website
         run: |
           git clone https://oauth2:${{ secrets.GITHUB_TOKEN }}@github.com/$GITHUB_REPOSITORY --branch gh-pages gh-pages
@@ -41,12 +35,10 @@ jobs:
               rm -rf latest
               mv ../docs/build/html latest
           fi
-
-      # TODO: enable once repo is public
-      # - name: deploy to gh-pages
-      #   if: github.event_name == 'push'
-      #   uses: peaceiris/actions-gh-pages@v4
-      #   with:
-      #     github_token: ${{ secrets.GITHUB_TOKEN }}
-      #     publish_dir: ./gh-pages/
-      #     force_orphan: true
+      - name: deploy to gh-pages
+        if: github.event_name == 'push'
+        uses: peaceiris/actions-gh-pages@v4
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: ./gh-pages/
+          force_orphan: true

.github/workflows/lint.yml

@@ -10,12 +10,10 @@ jobs:
 
     steps:
     - uses: actions/checkout@v4
-
     - name: Set up Python
       uses: actions/setup-python@v5
       with:
         python-version: "3.12"
     - run: pip install tox
-
     - name: Lint the code
       run: tox -e lint

.github/workflows/tests.yml

@@ -23,22 +23,16 @@ jobs:
 
     steps:
     - uses: actions/checkout@v4
-
     - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - run: pip install tox coverage[toml]
-
     - name: run Python tests
       run: |
         tox -e tests-min
         tox -e tests
         coverage xml
-      env:
-        # Use the CPU only version of torch when building/running the code
-        PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
-
     - name: upload to codecov.io
       uses: codecov/codecov-action@v4
       with: