Supercell energies in type-2 dataset #68
Workflow file for this run
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name: Pytest with mkl and --v2 option | |
on: | |
pull_request: | |
branches: [ develop ] | |
jobs: | |
build-linux: | |
runs-on: ubuntu-latest | |
defaults: | |
run: | |
shell: bash -l {0} | |
strategy: | |
matrix: | |
python-version: ["3.12"] | |
steps: | |
- uses: actions/checkout@v3 | |
# Use conda-incubator/setup-miniconda for precise control of conda infrastructure | |
- uses: conda-incubator/setup-miniconda@v2 | |
with: | |
miniforge-version: latest | |
- name: Install dependent packages | |
run: | | |
conda activate test | |
conda install --yes python=${{ matrix.python-version }} | |
#conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler | |
conda install --yes matplotlib-base pyyaml "libblas=*=*mkl" mkl-include h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler | |
- name: Install phonopy develop branch | |
run: | | |
conda activate test | |
git clone --depth 1 https://github.com/phonopy/phonopy.git | |
cd phonopy | |
PHONOPY_USE_OPENMP=true pip install -e . -vvv | |
cd .. | |
- name: Install phono3py | |
run: | | |
conda activate test | |
pip install -e . -vvv | |
- name: Run pytest | |
run: | | |
pytest --v2 -v --cov=./ --cov-report=xml test | |
- name: Upload coverage to Codecov | |
uses: codecov/codecov-action@v3 | |
with: | |
verbose: true |