changes to approximate_full_Hessian_from_smaller #862

	name: Python Package using Conda

	on:
	pull_request:
	branches:
	- "*"
	push:
	branches:
	- "NEW"
	- "master"

	jobs:
	build-linux:
	runs-on: ubuntu-latest
	strategy:
	max-parallel: 5
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python 3.11
	uses: actions/setup-python@v3
	with:
	python-version: '3.11'
	- uses: conda-incubator/setup-miniconda@v3
	with:
	miniforge-version: latest
	- 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
	conda --version
	conda info
	conda list
	conda config --show-sources
	conda config --show
	printenv \| sort
	conda env update --file environment.yml --name base
	conda list
	- name: check stuff
	run: \|
	which python
	which conda
	which mamba
	which pip
	echo $PATH
	which xtb
	- name: Lint with flake8
	run: \|
	conda install flake8
	# stop the build if there are Python syntax errors or undefined names
	flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
	# exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
	flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
	- name: Test with pytest
	run: \|
	conda install pytest
	which python
	pwd
	ls
	export PYTHONPATH=/home/runner/work/ash/ash:$PYTHONPATH
	pytest -v

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