Pydantic v1/v2 compatibility #1949

	name: CI

	on:
	push:
	branches:
	- "main"
	pull_request:
	branches:
	- "main"
	schedule:
	- cron: "0 0 * * *"

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

	jobs:
	test:

	name: ${{ matrix.cfg.os }}, 🐍=${{ matrix.python-version }}, program=${{ matrix.cfg.conda-env }}, pydantic=${{ matrix.pydantic-version }}
	runs-on: ${{ matrix.cfg.os }}

	strategy:
	fail-fast: false
	matrix:
	python-version:
	- "3.9"
	pydantic-version:
	- "1"
	- "2"
	cfg:
	- os: ubuntu-latest
	conda-env: basic

	- os: macOS-latest
	conda-env: basic

	- os: ubuntu-latest
	conda-env: psi4

	env:
	OE_LICENSE: ${{ github.workspace }}/oe_license.txt

	steps:
	- uses: actions/checkout@v2

	- name: Setup Conda Environment
	uses: mamba-org/provision-with-micromamba@main

	with:
	environment-file: devtools/conda-envs/${{ matrix.cfg.conda-env }}.yaml
	extra-specs: \|
	python=${{ matrix.python-version }}
	pydantic=${{ matrix.pydantic-version }}
	channel-priority: "flexible"

	- name: License OpenEye

	run: \|
	echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE}
	python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()"
	env:
	SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }}

	- name: Install Package
	run: \|
	python setup.py develop --no-deps

	- name: Conda Environment Information
	run: \|
	conda info
	conda list

	- name: Run Tests
	run: \|
	python -m pytest -v --cov=openff --cov-config=setup.cfg openff/qcsubmit/tests/ --cov-report=xml

	- name: Codecov
	uses: codecov/codecov-action@v1
	with:
	file: ./coverage.xml
	fail_ci_if_error: false

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