Devops: add GitHub Actions workflow for continuous deployment

This workflow will be triggered when a new tag is pushed that matches a
semantic versioning pattern. If it is pushed to the main repository of
the `aiidateam` account, a Python script `validate_release_tag.py` is
run that will parse the `__version__` attribute of the package and
compare it to the version of the tag. If they don't match, the workflow
is aborted.

Otherwise, the pre-commit and the unit test suite is ran, and when
successfull, `flit` is used to build and publish the package to PyPI.

.github/workflows/cd.yml

@@ -0,0 +1,122 @@
+name: Continuous Deployment
+
+on:
+ push:
+ tags:
+ - 'v[0-9]+.[0-9]+.[0-9]+*'
+
+jobs:
+
+ validate-release-tag:
+
+ if: github.repository == 'aiidateam/aiida-quantumespresso'
+ runs-on: ubuntu-latest
+
+ steps:
+ - name: Checkout source
+ - uses: actions/checkout@v2
+
+ - name: Set up Python 3.8
+ uses: actions/setup-python@v2
+ with:
+ python-version: '3.8'
+
+ - name: Validate the tag version against the package version
+ - run: python .github/workflows/validate_release_tag.py $GITHUB_REF
+
+ pre-commit:
+
+ needs: [validate-release-tag]
+ runs-on: ubuntu-latest
+
+ steps:
+ - uses: actions/checkout@v2
+
+ - name: Cache Python dependencies
+ uses: actions/cache@v1
+ with:
+ path: ~/.cache/pip
+ key: pip-pre-commit-${{ hashFiles('**/setup.json') }}
+ restore-keys:
+ pip-pre-commit-
+
+ - name: Set up Python
+ uses: actions/setup-python@v2
+ with:
+ python-version: '3.8'
+
+ - name: Install Python dependencies
+ run: |
+ pip install --upgrade pip setuptools wheel
+ pip install -e .[pre-commit,tests]
+
+ - name: Run pre-commit
+ run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
+
+ tests:
+
+ needs: [validate-release-tag]
+ runs-on: ubuntu-latest
+
+ strategy:
+ matrix:
+ python-version: ['3.6', '3.7', '3.8', '3.9']
+
+ services:
+ postgres:
+ image: postgres:12
+ rabbitmq:
+ image: rabbitmq:latest
+ ports:
+ - 5672:5672
+
+ steps:
+ - uses: actions/checkout@v2
+
+ - name: Cache Python dependencies
+ uses: actions/cache@v1
+ with:
+ path: ~/.cache/pip
+ key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }}
+ restore-keys:
+ pip-${{ matrix.python-version }}-tests
+
+ - name: Set up Python ${{ matrix.python-version }}
+ uses: actions/setup-python@v2
+ with:
+ python-version: ${{ matrix.python-version }}
+
+ - name: Install Python dependencies
+ run: |
+ pip install --upgrade pip setuptools wheel
+ pip install -e .[tests]
+ reentry scan
+
+ - name: Run pytest
+ run: pytest -sv tests
+
+
+ publish:
+
+ name: Publish to PyPI
+ needs: [pre-commit, tests]
+ runs-on: ubuntu-latest
+
+ steps:
+ - name: Checkout source
+ uses: actions/checkout@v2
+
+ - name: Set up Python 3.8
+ uses: actions/setup-python@v2
+ with:
+ python-version: '3.8'
+
+ - name: Install flit
+ run: pip install flit~=3.4
+
+ - name: Build and publish
+ run: flit publish
+
+ env:
+ FLIT_USERNAME: __token__
+ FLIT_PASSWORD: ${{ secrets.PYPI_KEY }}

.github/workflows/validate_release_tag.py

@@ -0,0 +1,35 @@
+# -*- coding: utf-8 -*-
+"""Validate that the version in the tag label matches the version of the package."""
+import argparse
+import ast
+from pathlib import Path
+
+
+def get_version_from_module(content: str) -> str:
+ """Get the ``__version__`` attribute from a module.
+
+ .. note:: This has been adapted from :mod:`setuptools.config`.
+ """
+ try:
+ module = ast.parse(content)
+ except SyntaxError as exception:
+ raise IOError('Unable to parse module.') from exception
+
+ try:
+ return next(
+ ast.literal_eval(statement.value) for statement in module.body if isinstance(statement, ast.Assign)
+ for target in statement.targets if isinstance(target, ast.Name) and target.id == '__version__'
+ )
+ except StopIteration as exception:
+ raise IOError('Unable to find the `__version__` attribute in the module.') from exception
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('GITHUB_REF', help='The GITHUB_REF environmental variable')
+ args = parser.parse_args()
+ assert args.GITHUB_REF.startswith('refs/tags/v'), f'GITHUB_REF should start with "refs/tags/v": {args.GITHUB_REF}'
+ tag_version = args.GITHUB_REF[11:]
+ package_version = get_version_from_module(Path('aiida_quantumespresso/__init__.py').read_text(encoding='utf-8'))
+ error_message = f'The tag version `{tag_version}` is different from the package version `{package_version}`'
+ assert tag_version == package_version, error_message