Upgrade HOOMD-blue and OpenMM in Colab #1609

	name: CI

	on:
	push:
	branches:
	- main
	- trunk-merge/**
	paths-ignore:
	- "README.md"
	pull_request:
	branches:
	- main
	paths-ignore:
	- "README.md"
	workflow_call:

	jobs:
	test:
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os: [ubuntu-20.04, macos-latest]
	python-version: [3.8, 3.9, 3.11]
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python ${{ matrix.python-version }} on ${{ matrix.os }}
	uses: actions/setup-python@v4
	with:
	python-version: ${{ matrix.python-version }}

	- name: Install python dependecies
	run: \|
	python -m pip install --upgrade pip
	pip install ase dill "dm-haiku<0.0.11" "e3nn-jax!=0.20.4" "jax<=0.4.15" "jaxlib<=0.4.15" "jax-md>=0.2.7" jaxopt pytest matplotlib "scipy<1.13"

	- name: Install pysages
	run: pip install .

	- name: Run tests
	run: \|
	pytest
	mkdir /tmp/test_plots
	mv *.pdf /tmp/test_plots

	- name: Upload artifact
	uses: actions/upload-artifact@v3
	with:
	name: test_plots
	path: /tmp/test_plots

	doc-test:
	runs-on: ubuntu-20.04
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python
	uses: actions/setup-python@v4
	with:
	python-version: 3.9
	- name: Install python dependecies
	run: \|
	python -m pip install --upgrade pip
	pip install dill "dm-haiku<0.0.11" "e3nn-jax!=0.20.4" "jax<=0.4.15" "jaxlib<=0.4.15" "jax-md>=0.2.7" jaxopt pytest pylint flake8
	pip install -r docs/requirements.txt
	- name: Install pysages
	run: pip install .
	- name: Build documentation
	run: cd docs && sphinx-build -b spelling -W --keep-going source build

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