Partial charge assignation using NAGL in example notebook #1911

	name: full_tests

	on:
	push:
	branches:
	- main
	pull_request:
	branches:
	- main
	schedule:
	# nightly tests, 2 am
	- cron: "0 2 * * *"

	concurrency:
	# Probably overly cautious group naming.
	# Commits to develop/master will cancel each other, but PRs will only cancel
	# commits within the same PR
	group: "${{ github.ref }}-${{ github.head_ref }}"
	cancel-in-progress: true


	defaults:
	run:
	shell: bash -leo pipefail {0}

	jobs:
	test:
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	# Note: we temporarily pin to macos-12 to avoid compatibility issues
	# between AT22+ and macos-13+ runners
	os: ["ubuntu-latest", "macos-latest"]
	python-version: ["3.10"]

	steps:
	- uses: actions/checkout@v2.4.0

	- name: Get current date
	id: date
	run: echo "date=$(date +%Y-%m-%d)" >> "${GITHUB_OUTPUT}"

	- uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: .binder/environment.yml
	cache-environment: true
	cache-downloads: true
	cache-environment-key: environment-${{ steps.date.outputs.date }}
	cache-downloads-key: downloads-${{ steps.date.outputs.date }}
	create-args: >-
	python=${{ matrix.python-version }}
	init-shell: bash

	- name: Additional info about the build
	run: \|
	uname -a
	df -h
	ulimit -a

	- name: Environment Information
	run: \|
	micromamba info
	micromamba list

	- name: Run example notebooks
	run: \|
	python -m pytest -v setup/ showcase/ cookbook/ openmm_rbfe/ networks/ --nbval-lax --nbval-cell-timeout=3000 -n auto --dist loadscope

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