Updating the python files for more fine-grained control of ab initio … #21

	name: Python Package using Conda

	on: [push]

	jobs:
	build-linux:
	runs-on: ubuntu-latest
	strategy:
	max-parallel: 5

	steps:
	- uses: actions/checkout@v3
	- name: Set up Python 3.10
	uses: actions/setup-python@v3
	with:
	python-version: '3.10'
	- name: Add conda to system path
	run: \|
	# $CONDA is an environment variable pointing to the root of the miniconda directory
	echo $CONDA/bin >> $GITHUB_PATH
	- name: Install dependencies
	run: \|
	conda create -c conda-forge -n bisamplepsi4ase psi4 ase

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