Add a chemiscope example. #1349
Workflow file for this run
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| name: Tests | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| workflow_dispatch: | |
| jobs: | |
| ruff: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install '.[dev]'" | |
| - run: ruff check . | |
| mypy: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install -e '.[dev]'" | |
| - run: mypy src | |
| ruff-format: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install -e '.[dev]'" | |
| - run: ruff format --check . | |
| pytest: | |
| runs-on: ubuntu-22.04 | |
| services: | |
| MongoDB: | |
| image: mongo | |
| ports: ["27017:27017"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install -e '.[dev]'" | |
| - run: pytest | |
| doctest: | |
| runs-on: ubuntu-22.04 | |
| services: | |
| MongoDB: | |
| image: mongo | |
| ports: ["27017:27017"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install -e '.[dev]'" | |
| - run: make -C docs doctest | |
| basic-ea: | |
| runs-on: ubuntu-22.04 | |
| services: | |
| MongoDB: | |
| image: mongo | |
| ports: ["27017:27017"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install -e '.[dev]'" | |
| - run: git clone https://github.com/lukasturcani/basic_ea --depth 1 | |
| - run: python basic_ea/basic_ea.py | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: basic-ea-fitness-plot | |
| path: fitness_progress.png | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: basic-ea-rotatable-bonds-plot | |
| path: rotatable_bonds_progress.png | |
| intermediate-ea: | |
| runs-on: ubuntu-22.04 | |
| services: | |
| MongoDB: | |
| image: mongo | |
| ports: ["27017:27017"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - run: "pip install -e '.[dev]'" | |
| - run: git clone https://github.com/lukasturcani/intermediate_ea --depth 1 | |
| - run: python intermediate_ea/intermediate_ea.py | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: intermediate-ea-fitness-plot | |
| path: fitness_progress.png | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: intermediate-ea-rotatable-bonds-plot | |
| path: rotatable_bonds_progress.png |