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update readme

update readme #325

Workflow file for this run

name: Python ci
on:
push:
branches:
- main
env:
DRY_RUN: false
jobs:
build-linux:
runs-on: ubuntu-latest
strategy:
max-parallel: 5
steps:
- uses: actions/checkout@v3
- name: Set up Python 3.9
uses: actions/setup-python@v3
with:
python-version: 3.9
- name: Install dependencies
run: |
pip install flake8 pytest build
if [ -f requirements.txt ]
then
pip install \
-r requirements.txt
pip install pytest-cov
fi
- name: Lint with flake8
run: |
flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
- name: Test with pytest
run: |
PYTHONPATH=./chemotools pytest --cov
- name: Python build package
run: |
python -m build
- name: Upload coverage reports to Codecov
uses: codecov/codecov-action@v3