General release description. This will be expanded later with the pub… #537

	name: CI

	on: [push, pull_request]

	jobs:
	tests:
	name: Test on ${{ matrix.os }}, 🐍=${{ matrix.python-version }}, Program=${{ matrix.conda-env }}
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os: [ "ubuntu-latest" ]
	python-version: ["3.9", "3.10"]
	max-parallel: 5

	steps:
	- uses: actions/checkout@v3
	- name: Create Environment
	uses: conda-incubator/[email protected]
	with:
	activate-environment: fegrow
	environment-file: environment.yml
	python-version: ${{ matrix.python-version }}
	auto-update-conda: true
	auto-activate-base: false
	show-channel-urls: true
	mamba-version: "*"
	miniforge-version: latest
	miniforge-variant: Mambaforge
	use-mamba: true
	- name: env summary
	shell: bash -l {0}
	run: conda list
	- name: dry install fegrow
	shell: bash -l {0}
	run: pip install --dry-run .
	- name: install fegrow
	shell: bash -l {0}
	run: pip install .
	- name: install pytest
	shell: bash -l {0}
	run: mamba install pytest
	- name: pytest
	shell: bash -l {0}
	run: pytest fegrow/testing
	- name: Run tutorial.py
	shell: bash -l {0}
	run: \|
	cd notebooks
	obabel sarscov2/lig.pdb -O sarscov2/coreh.sdf -p 7
	wget -nc https://files.rcsb.org/download/7L10.pdb
	python .tutorial.py

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