Rename OSZICAR to electronic_minimization #289
Workflow file for this run
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name: test-full | |
on: | |
push: | |
branches: [master] | |
pull_request: | |
branches: [master] | |
jobs: | |
tests: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
matrix: | |
os: [ubuntu-latest, macos-latest, windows-latest] | |
python-version: ["3.9", "3.10", "3.11", "3.12"] | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Set up conda | |
uses: conda-incubator/setup-miniconda@v3 | |
with: | |
auto-update-conda: true | |
python-version: ${{ matrix.python-version }} | |
- name: Set up poetry | |
shell: bash -el {0} | |
run: | | |
python --version | |
python -m pip install --progress-bar=off --upgrade pip | |
pip install --progress-bar=off "poetry!=1.4.1" | |
- name: Install py4vasp | |
shell: bash -el {0} | |
run: | | |
poetry --version | |
poetry install | |
- name: Install mdtraj with conda | |
shell: bash -el {0} | |
run: | | |
conda info | |
conda install -q -c conda-forge mdtraj | |
- name: Test with pytest | |
shell: bash -el {0} | |
run: | | |
poetry run pytest --version | |
poetry run pytest --cov=py4vasp --cov-report term | |
- name: Check code style | |
shell: bash -el {0} | |
run: | | |
poetry run isort --version | |
poetry run isort --check src | |
poetry run isort --check tests | |
poetry run black --version | |
poetry run black --check src | |
poetry run black --check tests | |