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Update README.md

Update README.md #59

Workflow file for this run

name: ci
on:
push:
branches:
- main
pull_request:
branches:
- main
jobs:
linux:
runs-on: "ubuntu-latest"
strategy:
matrix:
python-version: ['3.9', '3.10']
defaults:
run:
shell: bash -l {0}
name: Linux py ${{ matrix.python-version }} tests
steps:
- uses: actions/checkout@v2
- uses: conda-incubator/setup-miniconda@v2
with:
activate-environment: molskill
environment-file: environment.yml
python-version: ${{ matrix.python-version }}
auto-activate-base: false
- run: |
conda info
pip install pytest pytest-lazy-fixture pytest-cov
curl -Os https://uploader.codecov.io/latest/linux/codecov
chmod +x codecov
name: set pythonpath
- run: |
echo "PYTHONPATH=/home/runner/work/molskill/molskill" >> $GITHUB_ENV
name: test
- run: |
pytest --cov=molskill --cov-config=.coveragerc --cov-report=xml tests/