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Update README.md

Update README.md #103

Workflow file for this run

name: CI
on: [push, pull_request]
jobs:
run:
runs-on: ubuntu-latest
strategy:
matrix:
cfg:
- conda-env: base
python-version: 3.8
- conda-env: base
python-version: 3.9
- conda-env: base
python-version: "3.10"
env:
PYVER: ${{ matrix.cfg.python-version }}
CONDA_ENV: ${{ matrix.cfg.conda-env }}
steps:
- uses: actions/checkout@v2
- name: Create Environment
uses: conda-incubator/setup-miniconda@v2
with:
installer-url: https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
activate-environment: test
environment-file: ${{ matrix.cfg.conda-env }}.yaml
python-version: ${{ matrix.cfg.python-version }}
auto-activate-base: false
- name: Install
shell: bash -l {0}
run: | # Install molsym
python -m pip install . --no-deps
- name: Test with pytest
shell: bash -l {0}
run: |
pytest --cov="molsym" --color=yes --cov-report=xml test/
- name: Upload Coverage to Codecov
uses: codecov/codecov-action@v2