CI: automatic releases

.github/workflows/ci.yml

@@ -66,4 +66,57 @@ jobs:
     - name: Doctests
       run: |
         python -m sphinx -b doctest docs build
-        python -m doctest README.md
+        python -m doctest README.md
+
+    - name: Build artifacts
+      run: |
+        python setup.py sdist bdist_wheel
+
+    - name: Upload artifact
+      uses: actions/upload-artifact@v2
+      with:
+        name: ${{ runner.os }}-py${{ matrix.python-version }}-artifact
+        path: dist/*
+        retention-days: 7
+
+
+  release:
+    needs: [build]
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v2
+
+    - uses: actions/download-artifact@v2
+      with:
+        path: artifacts/
+
+    - name: Create release description
+      run: |
+        python release-description.py CHANGELOG.rst > description.md
+        cat description.md
+
+    - name: Move artifacts
+      run: |
+        ls --recursive artifacts/
+        mkdir dist
+        mv --backup=numbered artifacts/*/** dist
+        rm -f dist/*~
+        echo "To be uploaded:"
+        ls dist
+
+    - name: Create release
+      if: startsWith(github.ref, 'refs/tags/v')
+      uses: softprops/action-gh-release@v1
+      env:
+        GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+      with:
+        body_path: description.md
+        files: |
+          dist/*
+    
+    - name: Upload to PyPI
+      if: startsWith(github.ref, 'refs/tags/v')
+      uses: pypa/gh-action-pypi-publish@release/v1
+      with:
+        user: __token__
+        password: ${{ secrets.PYPI_API_TOKEN }}

CHANGELOG.rst

@@ -4,8 +4,13 @@ What's new
 
 .. currentmodule:: crystals
 
-1.3.1
------
+Release 1.3.2
+-------------
+
+* Releases are now automatically performed using Github Actions
+
+Release 1.3.1
+-------------
 
 * The distinction between :class:`Supercell` and :class:`Crystal` no longer exists; :class:`Supercell` objects can be used everywhere a :class:`Crystal` is expected.
 

RELEASE-CHECKLIST.rst

@@ -0,0 +1,9 @@
+Release checklist
+-----------------
+
+To create a release, simply create a tag that starts with 'v' (e.g. 'v2.0.0')::
+
+    git tag -a "v2.0.0"
+    git push origin "v2.0.0"
+
+The package will be automatically tested, released on GitHub and uploaded to PyPI.

dev-requirements.txt

@@ -1,6 +1,7 @@
 sphinx >= 3
 sphinx_rtd_theme >= 0.4
 pytest >= 6
+wheel
 # Optional requirements used for tests
 biopython >= 1, <2
 ase >= 3, <4

release-description.py

@@ -0,0 +1,25 @@
+"""
+Extract the changes from last release
+"""
+
+import sys
+
+if __name__ == "__main__":
+    filename = sys.argv[1]
+
+    with open(filename, mode="r") as f:
+
+        # Look for the first second-level title
+        for line in f:
+            if line.startswith("Release"):
+                break
+
+        print(line, end="")
+        for line in f:
+            if not line.startswith("Release"):
+                print(line, end="")
+            else:
+                # Exit gracefully
+                sys.exit(0)
+    # There was a problem: Exit with error
+    sys.exit(-1)