New release workflow (#15)

Add a GH Actions workflow that runs when a GitHub release is published.
It will run the new invoke task "update-version" with the tag name,
updating `metadata.json`'s `"version"` value with the correct version.
Then it will update the tag to the new commit and push it all to
`master`.

.github/dependabot.yml

@@ -5,3 +5,8 @@ updates:
   schedule:
     interval: daily
   target-branch: master
+- package-ecosystem: github-actions
+  directory: "/"
+  schedule:
+    interval: daily
+  target-branch: master

.github/static/release_tag_msg.txt

@@ -0,0 +1,4 @@
+TAG_NAME
+
+This tag was created automatically through the GH Actions
+"Release new version" workflow.

.github/workflows/publish-on-pypi.yml

@@ -0,0 +1,49 @@
+name: Release new version
+
+on:
+  release:
+    types:
+      - published
+
+jobs:
+  release:
+    runs-on: ubuntu-latest
+    if: github.repository == 'aiidalab/aiidalab-optimade' && startsWith(github.ref, 'refs/tags/v')
+
+    steps:
+    - name: Checkout repository
+      uses: actions/checkout@v2
+
+    - name: Set up Python 3.8
+      uses: actions/setup-python@v2
+      with:
+        python-version: 3.8
+
+    - name: Install Python dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install -U setuptools
+        pip install -r requirements_dev.txt
+
+    - name: Update version
+      run: invoke update-version --version="${GITHUB_REF#refs/tags/}"
+
+    - name: Commit and update tag
+      run: |
+        git config --local user.email "aiidalab@materialscloud.org"
+        git config --local user.name "AiiDAlab Team"
+
+        git commit -m "Release ${GITHUB_REF#refs/tags/}" -a
+
+        TAG_MSG=.github/static/release_tag_msg.txt
+        sed -i "s|TAG_NAME|${GITHUB_REF#refs/tags/}|g" "${TAG_MSG}"
+
+        git tag -af -F "${TAG_MSG}" ${GITHUB_REF#refs/tags/}
+
+    - name: Push release commit and new tag
+      uses: ad-m/github-push-action@master
+      with:
+        github_token: ${{ secrets.GITHUB_TOKEN }}
+        force: true
+        tags: true
+        branch: master

requirements_dev.txt

@@ -0,0 +1 @@
+invoke~=1.4

setup.py

@@ -11,6 +11,9 @@
 with open(TOP_DIR.joinpath("requirements.txt")) as handle:
     REQUIREMENTS = handle.read()
 
+with open(TOP_DIR.joinpath("requirements_dev.txt")) as handle:
+    DEV = handle.read()
+
 setup(
     name="aiidalab-optimade",
     version=METADATA["version"],
@@ -21,4 +24,5 @@
     url="https://github.com/aiidalab/aiidalab-optimade",
     packages=find_packages(),
     install_requires=REQUIREMENTS,
+    extras_require={"dev": DEV}
 )

tasks.py

@@ -0,0 +1,41 @@
+from pathlib import Path
+import re
+import sys
+from typing import Tuple
+
+from invoke import task
+
+
+TOP_DIR = Path(__file__).parent.resolve()
+
+
+def update_file(filename: str, sub_line: Tuple[str, str], strip: str = None):
+    """Utility function for tasks to read, update, and write files"""
+    with open(filename, "r") as handle:
+        lines = [
+            re.sub(sub_line[0], sub_line[1], line.rstrip(strip)) for line in handle
+        ]
+
+    with open(filename, "w") as handle:
+        handle.write("\n".join(lines))
+        handle.write("\n")
+
+
+@task
+def update_version(_, version=""):
+    """Update package version to given version"""
+    if version:
+        if version.startswith("v"):
+            version = version[1:]
+        if re.match(r"[0-9]+(\.[0-9]+){2}.*", version) is None:
+            sys.exit(
+                f"Error: Passed version ({version}) does adhere to SemVer standards."
+            )
+    else:
+        sys.exit("Error: version not supplied. It should adhere to SemVer standards.")
+
+    update_file(
+        TOP_DIR.joinpath("metadata.json"), (r'"version": ".+"', f'"version": "{version}"')
+    )
+
+    print(f"Bumped version to {version} !")