Merge pull request #37 from dcheng2022/master #1

	name: run_tests
	on:
	push:
	paths:
	- "**.py"
	- "Makefile"
	- "openbabel/**"
	- "eigen/**"
	- "src/**"
	pull_request:
	workflow_dispatch:
	jobs:
	build:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4
	- name: Setup Python 3.10
	uses: actions/setup-python@v5
	with:
	python-version: "3.10"
	- name: Install colordiff
	run: \|
	sudo apt-get update
	sudo apt-get install colordiff
	- name: Build Project
	run: \|
	mkdir Output
	make test
	- name: Run Unit Tests
	run: make unittest
	- name: Run Intermediate Tests
	run : make intermediatetest
	- name: Archive Mismatch Artifacts
	uses: actions/upload-artifact@v4
	with:
	name: mismatch
	path: Mismatch
	if-no-files-found: ignore
	retention-days: 1
	- name: Run Integration Tests
	run: \|
	python set_paths.py
	pip install .
	make pytest

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