install latest openfe and gufe as a canary to catch upstream changes #863

	name: "CI - Integration"
	on:
	pull_request:
	branches:
	- main
	push:
	branches:
	- main
	schedule:
	# At 07:00 UTC on Monday and Thursday.
	- cron: "0 7 * * 1,4"

	concurrency:
	group: "${{ github.workflow }}-${{ github.ref }}"
	cancel-in-progress: true

	defaults:
	run:
	shell: bash -l {0}

	jobs:
	tests:
	runs-on: ${{ matrix.OS }}-latest
	name: "tests"
	strategy:
	fail-fast: false
	matrix:
	os: ['ubuntu']
	python-version:
	- "3.9"
	- "3.10"
	deps-versions: ['openfe-release']
	include:
	- os: 'ubuntu'
	python-version: "3.10"
	deps-versions: 'openfe-latest'

	steps:
	- uses: actions/checkout@v2

	- uses: conda-incubator/setup-miniconda@v2
	with:
	auto-update-conda: true
	use-mamba: true
	python-version: ${{ matrix.python-version }}
	miniforge-variant: Mambaforge
	environment-file: devtools/conda-envs/test.yml
	activate-environment: alchemiscale-test

	- name: "Install openfe & gufe from latest source"
	if: ${{ matrix.deps-versions == 'openfe-latest' }}
	run: pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe git+https://github.com/OpenFreeEnergy/openfe

	- name: "Install"
	run: python -m pip install --no-deps -e .

	- name: "Environment Information"
	run: \|
	mamba info -a
	mamba list

	- name: "Run tests"
	run: \|
	pytest -v --cov=alchemiscale --cov-report=xml alchemiscale/tests

	- name: codecov
	if: ${{ github.repository == 'openforcefield/alchemiscale'
	&& github.event != 'schedule' }}
	uses: codecov/codecov-action@v2
	with:
	file: coverage.xml
	fail_ci_if_error: False
	verbose: True

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