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spin polarized calculation with DFPT workflow #1113

spin polarized calculation with DFPT workflow

spin polarized calculation with DFPT workflow #1113

Workflow file for this run

name: Run tests
on:
pull_request:
branches:
- master
push:
branches:
- master
jobs:
test:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
max-parallel: 6
matrix:
os: [ubuntu-latest, macOS-latest]
steps:
- name: Checkout
uses: actions/checkout@v3
with:
submodules: true
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: '3.10'
- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install -e .[test]
- name: Test the source code
run: |
pytest --ci tests/ -m 'not (tutorials or espresso)' --cov-config=.coveragerc --cov=./koopmans/ --cov-report=xml
- name: Upload coverage to Codecov
if: github.repository == 'epfl-theos/koopmans'
uses: codecov/codecov-action@v3
with:
file: coverage.xml