Compatibility with newer Python versions #348

	name: ci

	on:
	push:
	branches:
	- "master"
	pull_request:
	branches:
	- "master"

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

	jobs:
	test:
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os:
	- macOS-latest
	- ubuntu-latest
	python-version:
	- "3.10"
	- "3.11"
	- "3.12"

	env:
	CI_OS: ${{ matrix.os }}
	PACKAGE: forcebalance

	steps:
	- name: Checkout
	uses: actions/checkout@v3

	- name: Set up conda environment
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: devtools/conda-envs/test_env.yaml
	create-args: >- # beware the >- instead of \|, we don't split on newlines but on spaces
	python=${{ matrix.python-version }}

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

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

	- name: Extract data archives
	run: \|
	cd studies/001_water_tutorial
	tar xvjf targets.tar.bz2
	cd ../../

	- name: Install package
	run: \|
	python -m pip install --no-deps .
	python -c "import forcebalance; print(forcebalance.__version__)"

	- name: Run tests
	run: \|
	pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml -k "not TestEvaluatorBromineStudy" src/tests/

	- name: Run water study
	run: \|
	cd studies/001_water_tutorial
	tar xvjf targets.tar.bz2
	ForceBalance very_simple.in
	cd ../../

	- name: Codecov
	uses: codecov/codecov-action@v3
	with:
	file: ./coverage.xml
	fail_ci_if_error: false

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