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Devops: Add a YAML and TOML formatter
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‎.github/workflows/cd.yml

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@@ -1,108 +1,108 @@
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name: cd
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on:
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push:
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tags:
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- 'v[0-9]+.[0-9]+.[0-9]+*'
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push:
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tags:
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- v[0-9]+.[0-9]+.[0-9]+*
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jobs:
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validate-release-tag:
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validate-release-tag:
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if: github.repository == 'aiidateam/aiida-common-workflows'
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runs-on: ubuntu-latest
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if: github.repository == 'aiidateam/aiida-common-workflows'
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runs-on: ubuntu-latest
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steps:
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- name: Checkout source
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uses: actions/checkout@v2
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steps:
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- name: Checkout source
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uses: actions/checkout@v2
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- name: Set up Python 3.9
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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- name: Set up Python 3.9
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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- name: Validate the tag version against the package version
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run: python .github/workflows/validate_release_tag.py $GITHUB_REF
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- name: Validate the tag version against the package version
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run: python .github/workflows/validate_release_tag.py $GITHUB_REF
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pre-commit:
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pre-commit:
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needs: [validate-release-tag]
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runs-on: ubuntu-latest
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needs: [validate-release-tag]
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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steps:
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- uses: actions/checkout@v2
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- name: Install Python
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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cache: 'pip'
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cache-dependency-path: pyproject.toml
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- name: Install Python
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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cache: pip
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cache-dependency-path: pyproject.toml
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Install Python package and dependencies
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run: pip install -e .[docs,pre-commit,tests]
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- name: Install Python package and dependencies
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run: pip install -e .[docs,pre-commit,tests]
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- name: Run pre-commit
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run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
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- name: Run pre-commit
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run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
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tests:
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tests:
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needs: [validate-release-tag]
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runs-on: ubuntu-latest
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timeout-minutes: 30
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needs: [validate-release-tag]
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runs-on: ubuntu-latest
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timeout-minutes: 30
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strategy:
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matrix:
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python-version: ['3.9', '3.10', '3.11', '3.12']
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strategy:
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matrix:
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python-version: ['3.9', '3.10', '3.11', '3.12']
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services:
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rabbitmq:
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image: rabbitmq:latest
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ports:
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- 5672:5672
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services:
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rabbitmq:
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image: rabbitmq:latest
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ports:
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- 5672:5672
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steps:
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- uses: actions/checkout@v2
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steps:
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- uses: actions/checkout@v2
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- name: Install Python ${{ matrix.python-version }}
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uses: actions/setup-python@v4
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with:
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python-version: ${{ matrix.python-version }}
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cache: 'pip'
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cache-dependency-path: pyproject.toml
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- name: Install Python ${{ matrix.python-version }}
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uses: actions/setup-python@v4
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with:
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python-version: ${{ matrix.python-version }}
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cache: pip
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cache-dependency-path: pyproject.toml
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Install Python package and dependencies
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run: pip install -e .[tests]
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- name: Install Python package and dependencies
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run: pip install -e .[tests]
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- name: Run pytest
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run: pytest -sv tests
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- name: Run pytest
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run: pytest -sv tests
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publish:
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publish:
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name: Publish to PyPI
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needs: [pre-commit, tests]
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runs-on: ubuntu-latest
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name: Publish to PyPI
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needs: [pre-commit, tests]
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runs-on: ubuntu-latest
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steps:
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- name: Checkout source
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uses: actions/checkout@v2
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steps:
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- name: Checkout source
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uses: actions/checkout@v2
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- name: Set up Python 3.9
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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- name: Set up Python 3.9
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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- name: Install flit
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run: pip install flit~=3.4
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- name: Install flit
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run: pip install flit~=3.4
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- name: Build and publish
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run: flit publish
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env:
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FLIT_USERNAME: __token__
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FLIT_PASSWORD: ${{ secrets.PYPI_KEY }}
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- name: Build and publish
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run: flit publish
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env:
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FLIT_USERNAME: __token__
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FLIT_PASSWORD: ${{ secrets.PYPI_KEY }}

‎.github/workflows/ci.yml

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@@ -4,61 +4,61 @@ on: [push, pull_request]
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jobs:
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pre-commit:
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pre-commit:
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runs-on: ubuntu-latest
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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steps:
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- uses: actions/checkout@v2
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- name: Install Python
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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cache: 'pip'
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cache-dependency-path: pyproject.toml
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- name: Install Python
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uses: actions/setup-python@v4
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with:
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python-version: '3.9'
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cache: pip
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cache-dependency-path: pyproject.toml
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Install Python package and dependencies
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run: pip install -e .[docs,pre-commit,tests]
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- name: Install Python package and dependencies
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run: pip install -e .[docs,pre-commit,tests]
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- name: Run pre-commit
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run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
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- name: Run pre-commit
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run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
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tests:
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tests:
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runs-on: ubuntu-latest
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timeout-minutes: 30
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runs-on: ubuntu-latest
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timeout-minutes: 30
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strategy:
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matrix:
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python-version: ['3.9', '3.10', '3.11', '3.12']
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strategy:
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matrix:
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python-version: ['3.9', '3.10', '3.11', '3.12']
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services:
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rabbitmq:
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image: rabbitmq:latest
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ports:
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- 5672:5672
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services:
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rabbitmq:
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image: rabbitmq:latest
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ports:
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- 5672:5672
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steps:
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- uses: actions/checkout@v2
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steps:
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- uses: actions/checkout@v2
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- name: Install Python ${{ matrix.python-version }}
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uses: actions/setup-python@v4
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with:
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python-version: ${{ matrix.python-version }}
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cache: 'pip'
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cache-dependency-path: pyproject.toml
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- name: Install Python ${{ matrix.python-version }}
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uses: actions/setup-python@v4
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with:
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python-version: ${{ matrix.python-version }}
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cache: pip
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cache-dependency-path: pyproject.toml
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Update pip and install wheel
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run: pip install -U pip wheel
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- name: Install Python package and dependencies
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run: pip install -e .[tests]
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- name: Install Python package and dependencies
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run: pip install -e .[tests]
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- name: Run pytest
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env:
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AIIDA_WARN_v3: true
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run: pytest -sv tests
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- name: Run pytest
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env:
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AIIDA_WARN_v3: true
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run: pytest -sv tests

‎.pre-commit-config.yaml

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repos:
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- repo: https://github.com/pre-commit/pre-commit-hooks
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rev: v4.5.0
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hooks:
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- id: check-merge-conflict
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- id: check-yaml
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- id: double-quote-string-fixer
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- id: end-of-file-fixer
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- id: fix-encoding-pragma
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args: [--remove]
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- id: mixed-line-ending
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args: [--fix=lf]
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- id: trailing-whitespace
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- repo: https://github.com/pre-commit/pre-commit-hooks
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rev: v4.5.0
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hooks:
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- id: check-merge-conflict
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- id: check-yaml
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- id: double-quote-string-fixer
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- id: end-of-file-fixer
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- id: fix-encoding-pragma
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args: [--remove]
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- id: mixed-line-ending
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args: [--fix=lf]
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- id: trailing-whitespace
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- repo: https://github.com/ikamensh/flynt/
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rev: '1.0.1'
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hooks:
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- id: flynt
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- repo: https://github.com/ikamensh/flynt/
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rev: 1.0.1
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hooks:
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- id: flynt
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- repo: https://github.com/astral-sh/ruff-pre-commit
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rev: v0.1.9
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hooks:
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- id: ruff-format
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- id: ruff
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args: [--fix, --exit-non-zero-on-fix, --show-fixes]
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- repo: https://github.com/macisamuele/language-formatters-pre-commit-hooks
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rev: v2.11.0
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hooks:
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- id: pretty-format-toml
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args: [--autofix]
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- id: pretty-format-yaml
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args: [--autofix]

‎.readthedocs.yml

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version: 2
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build:
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apt_packages:
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- gfortran # This is necessary for the `sisl` dependency of `aiida-siesta`
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apt_packages:
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- gfortran # This is necessary for the `sisl` dependency of `aiida-siesta`
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python:
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version: 3.8
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install:
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- method: pip
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path: .
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extra_requirements:
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- docs
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version: 3.8
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install:
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- method: pip
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path: .
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extra_requirements:
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- docs
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sphinx:
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builder: html
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fail_on_warning: true
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builder: html
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fail_on_warning: true

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