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Remove rdkit, sort dependencies #215

Remove rdkit, sort dependencies

Remove rdkit, sort dependencies #215

Workflow file for this run

name: pytest
on:
push:
branches:
- main
paths:
- grits/**
- environment.yml
- .github/workflows/pytest.yml
pull_request:
branches:
- main
paths:
- grits/**
- environment.yml
- .github/workflows/pytest.yml
# Allows workflow to be manually triggered
workflow_dispatch:
jobs:
pytest:
runs-on: ubuntu-latest
steps:
- name: Check out repository
uses: actions/checkout@v2
- name: Build environment
uses: conda-incubator/setup-miniconda@v2
with:
environment-file: environment.yml
miniforge-variant: Mambaforge
miniforge-version: 4.9.2-4
use-mamba: true
- name: Install package
shell: bash -l {0}
run: pip install .
- name: Run pytest with coverage report
shell: bash -l {0}
run: python -m pytest -v -rs --cov=./ --cov-report=xml
- name: Upload coverage to Codecov
uses: codecov/codecov-action@v1
with:
file: ./coverage.xml