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Add encut option to velph supercell differentiate #11

Add encut option to velph supercell differentiate

Add encut option to velph supercell differentiate #11

Workflow file for this run

name: phelel test using conda-forge environment
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@v4
- uses: conda-incubator/setup-miniconda@v3
with:
auto-update-conda: true
channels: conda-forge
channel-priority: strict
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
conda activate test
conda install --yes -c conda-forge python=${{ matrix.python-version }}
conda install --yes -c conda-forge phonopy phono3py finufft tomli tomli-w seekpath pytest click codecov pytest-cov
- name: Setup phelel
run: |
conda activate test
pip install -e . -vvv
- name: Test with pytest
run: |
conda activate test
pytest -v --cov=./ --cov-report=xml
- name: Upload coverage reports to Codecov
uses: codecov/[email protected]
with:
token: ${{ secrets.CODECOV_TOKEN }}
verbose: true