Implementation of early stopping feature. #41

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python

	name: Python package

	on:
	pull_request:
	branches: [ "master" ]

	jobs:
	build:

	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.9", "3.10"] # ver. 3.11 is not supported by TP

	steps:
	- uses: actions/checkout@v3
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v3
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install general dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install pytest
	- name: Checkout tensorpotential
	uses: actions/checkout@v2
	with:
	repository: ICAMS/TensorPotential
	path: tensorpotential
	- name: Install tensorpotential
	run: \|
	cd tensorpotential
	if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
	#python setup.py install
	pip install .
	- name: Install python-ace
	run: \|
	if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
	#python setup.py install
	pip install .
	- name: Test with python-ace with tensorpotential
	run: \|
	python -m pytest tests/ --runtensorpot
	- name: Integration test of CLI
	run: \|
	cd tests/test-CLI/Cu-I && sh integration_test.sh
	cd ../Ethanol && sh integration_test.sh

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