Tests and examples for NEB and IRC were updated #325
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| # Testing with conda - heavier than the PIP version, | |
| # this includes different engines and plugins | |
| name: Tests with Conda | |
| on: | |
| push: | |
| branches: [ master ] | |
| pull_request: | |
| # The branches below must be a subset of the branches above | |
| branches: [ master ] | |
| schedule: | |
| - cron: '36 21 * * 6' | |
| # 2023-10-26: Essential in the new setup-micromamba scheme. | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| build-linux: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: | |
| # - macOS-latest | |
| - ubuntu-latest | |
| python-version: | |
| - "3.8" | |
| - "3.9" | |
| env: | |
| CI_OS: ${{ matrix.os }} | |
| PYVER: ${{ matrix.python-version }} | |
| PACKAGE: geometric | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up conda environment | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/latest.yaml | |
| create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces | |
| python=${{ matrix.python-version }} | |
| - name: Install package | |
| run: | | |
| python -c "import numpy; print(numpy.__version__)" | |
| # This is the essential install line. The others are debugging statements. | |
| python -m pip install --no-deps . | |
| python -c "import numpy; print(numpy.__version__)" | |
| python -c "import geometric; print(geometric.__version__)" | |
| env | grep geometric-test | |
| - name: pytest | |
| run: pytest -v --cov=geometric geometric/tests/ | |
| # LPW 2022-10-03 Commenting out because GH Actions cannot test or cover Engine interfaces to commercial packages. | |
| # Enabling Codecov upload for GH Actions would undercount the lines actually covered. | |
| # - name: Codecov upload | |
| # uses: codecov/codecov-action@v1 | |
| # with: | |
| # flags: unittests-conda | |
| # fail_ci_if_error: true | |
| # verbose: true |