Added file IO for options #2105
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: aiida-fleur | |
| on: [push, pull_request] | |
| jobs: | |
| docs: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| include: | |
| - name: docs | |
| sphinx-options: '' | |
| allow-failure: true | |
| - name: docs-nitpicky | |
| sphinx-options: '-nW' | |
| allow-failure: true | |
| name: ${{ matrix.name }} | |
| continue-on-error: ${{ matrix.allow-failure }} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.8 | |
| - name: Cache python dependencies | |
| id: cache-pip | |
| uses: actions/cache@v1 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-docs-${{ hashFiles('**/pyproject.toml') }} | |
| restore-keys: | | |
| pip-docs- | |
| - name: Install python dependencies | |
| run: | | |
| pip install -e .[docs] | |
| reentry scan || true | |
| - name: Build documentation | |
| env: | |
| READTHEDOCS: 'True' | |
| SPHINXOPTS: ${{ matrix.sphinx-options }} | |
| run: | | |
| make -C docs html | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Cache python dependencies | |
| id: cache-pip | |
| uses: actions/cache@v1 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-pre-commit-${{ hashFiles('**/pyproject.toml') }} | |
| restore-keys: | | |
| pip-pre-commit- | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.8 | |
| - name: Install python dependencies | |
| run: | | |
| pip install .[pre-commit,testing] | |
| pip freeze | |
| - name: Run pre-commit | |
| run: | | |
| pre-commit run --all-files || (git status --short; git diff ; exit 1) | |
| tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ["3.8", "3.9", "3.10"] | |
| aiida: [{version: 'aiida-core==2.0.1', name: '2.0.1'},{version: 'aiida-core==2.3.0', name: '2.3.0'}] | |
| masci-tools: [{version: 'masci-tools', name: 'stable'}] | |
| bokeh-version: ['bokeh==3.0.3'] | |
| mpl-version: ['matplotlib==3.6.3'] | |
| add-name: [''] | |
| allowed-to-fail: [false] | |
| include: | |
| - python-version: "3.11" | |
| aiida: {version: 'aiida-core==2.3.0', name: '2.3.0'} | |
| masci-tools: {version: 'masci-tools', name: 'stable'} | |
| bokeh-version: 'bokeh==3.0.3' | |
| mpl-version: 'matplotlib==3.6.3' | |
| add-name: '' | |
| allowed-to-fail: false | |
| - python-version: 3.9 | |
| aiida: {version: 'git+https://github.com/aiidateam/aiida-core.git@main', name: 'latest'} | |
| masci-tools: {version: 'masci-tools', name: 'stable'} | |
| bokeh-version: 'bokeh==3.0.3' | |
| mpl-version: 'matplotlib==3.6.3' | |
| add-name: '' | |
| allowed-to-fail: true | |
| - python-version: 3.9 | |
| aiida: {version: 'aiida-core==2.0.1', name: '2.0.1'} | |
| masci-tools: {version: 'git+https://github.com/JuDFTteam/masci-tools.git@develop', name: 'develop'} | |
| bokeh-version: 'bokeh==3.0.3' | |
| mpl-version: 'matplotlib==3.6.3' | |
| add-name: '' | |
| allowed-to-fail: true | |
| - python-version: 3.9 | |
| aiida: {version: 'aiida-core==2.0.1', name: '2.0.1'} | |
| masci-tools: {version: 'masci-tools', name: 'stable'} | |
| bokeh-version: 'bokeh' | |
| mpl-version: 'matplotlib' | |
| add-name: '-latest-bokeh/mpl' | |
| allowed-to-fail: true | |
| fail-fast: false | |
| name: ${{ matrix.python-version }}-aiida-${{ matrix.aiida.name }}-masci-${{ matrix.masci-tools.name }}${{ matrix.add-name }} | |
| continue-on-error: ${{ matrix.allowed-to-fail }} | |
| services: | |
| postgres: | |
| image: postgres:10 | |
| env: | |
| POSTGRES_DB: test_${{ matrix.backend }} | |
| POSTGRES_PASSWORD: '' | |
| POSTGRES_HOST_AUTH_METHOD: trust | |
| ports: | |
| - 5432:5432 | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Cache python dependencies | |
| id: cache-pip | |
| uses: actions/cache@v1 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-${{ matrix.python-version }}-${{ matrix.aiida.name }}-tests-${{ hashFiles('**/pyproject.toml') }} | |
| restore-keys: | | |
| pip-${{ matrix.python-version }}-${{ matrix.aiida.name }}-tests | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install system dependencies | |
| run: | | |
| sudo apt update | |
| sudo apt install postgresql | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade wheel setuptools | |
| pip install git+https://github.com/aiidateam/aiida-testing.git@main | |
| pip install --no-deps git+https://github.com/aiidateam/aiida-common-workflows.git@master | |
| pip install .[testing,graphs] | |
| pip install ${{ matrix.aiida.version }} ${{ matrix.masci-tools.version }} | |
| pip install ${{ matrix.bokeh-version }} ${{ matrix.mpl-version }} | |
| reentry scan || true | |
| - name: Run pytest | |
| run: | | |
| cd ./tests/ | |
| # create fake codes for tests to work on ci | |
| touch local_exe/inpgen && chmod +x local_exe/inpgen | |
| touch local_exe/fleur && chmod +x local_exe/fleur | |
| ./run_all_cov.sh --local-exe-hdf5 | |
| - name: Upload report to Codecov | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./tests/coverage.xml | |
| fail_ci_if_error: False | |
| - uses: actions/upload-artifact@v3 | |
| if: failure() | |
| with: | |
| name: matplotlib-comparison-${{ matrix.python-version }} | |
| path: tests/mpl-results |