UCLchem interface #445

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions

	name: Python package

	on:
	push:
	branches: [ "main" ]
	pull_request:
	branches: [ "main" ]
	jobs:
	build:
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.7", "3.10"]
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v4
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install flake8 pytest
	# don't install requirements.txt as mpi4py will fail...
	# if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
	python -m pip install --upgrade setuptools setuptools_scm wheel docutils numpy h5py
	- name: Lint with flake8
	run: \|
	# stop the build if there are Python syntax errors or undefined names
	flake8 src/amuse/. --count --select=E9,F63,F7,F82 --show-source --statistics
	# exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
	flake8 src/amuse/. --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
	- name: Install framework
	run: \|
	python -m pip install -e .
	- name: Test with pytest (only core tests)
	run: \|
	pytest src/amuse/test/suite/core_tests
	# - name: Create packages
	# run: \|
	# cd packages && sh generate_packages.sh

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