Updated eos WF to be able to start from kpts.xml ... in current dir. #2089
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| name: aiida-fleur | |
| on: [push, pull_request] | |
| jobs: | |
| docs: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| include: | |
| - name: docs | |
| sphinx-options: '' | |
| allow-failure: false | |
| - 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 |