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Supercell energies in type-2 dataset #68

Supercell energies in type-2 dataset

Supercell energies in type-2 dataset #68

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