Update tests.yml #171

	name: test

	on:
	push:
	branches:
	- '*'

	jobs:
	test:

	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: [3.10, 3.11]
	max-parallel: 1

	steps:
	- uses: actions/checkout@v2
	- name: Set up conda environment
	uses: conda-incubator/setup-miniconda@v2
	with:
	activate-environment: my-environment
	environment-file: environment.yaml
	python-version: ${{ matrix.python-version }}
	auto-activate-base: true
	- name: Install [openmm pdbfixer] with conda
	shell: bash -l {0}
	run: \|
	conda install -c conda-forge openmm pdbfixer
	- name: Install dependencies
	shell: bash -l {0}
	run: \|
	python -m pip install --upgrade pip
	if [ -f dev-requirements.txt ]; then pip install -r dev-requirements.txt; fi
	- name: Install
	shell: bash -l {0}
	run: \|
	pip install .
	- name: Check pre-commit
	run: \|
	pip install pre-commit
	pre-commit run --all-files \|\| ( git status --short ; git diff ; exit 1 )
	- name: Run Test
	shell: bash -l {0}
	env:
	OPENAI_API_KEY: ${{ secrets.OPENAI_API_KEY }}
	SEMANTIC_SCHOLAR_API_KEY: ${{ secrets.SEMANTIC_SCHOLAR_API_KEY }}
	PQA_API_KEY : ${{ secrets.PQA_API_TOKEN }}
	run: \|
	pytest -m "not skip" tests

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