Add Pytest Workflow for YARP enumeration and dative bonds #1

	name: Python application test

	on: [push, pull_request]

	jobs:
	build:

	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python
	uses: actions/setup-python@v2
	with:
	python-version: '3.9' # Specify the Python version

	- name: Install dependencies
	run: \|
	#python -m pip install --upgrade pip
	if [ -f pytest_requirements.txt ]; then
	pip install -r pytest_requirements.txt;
	fi
	pip install numpy
	pip install rdkit
	pip install scipy
	pip install .

	#if [ -f env.yaml ]; then
	# #conda install --file env.yaml
	# conda env create -f env.yaml
	#fi

	- name: Run pytest
	run: \|
	#conda activate yarp
	cd examples/; pytest -s # Assuming your tests are in the 'tests' directory

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