bug fix #58

	name: Regression and unitary tests

	on: [push, pull_request]

	jobs:
	build:

	strategy:
	matrix:
	python-version: [3.8.5]
	os: ["ubuntu-22.04"]

	runs-on: "${{ matrix.os }}"

	name: Regression and unitary tests
	steps:
	- uses: actions/checkout@v2
	- name: Setup conda
	uses: s-weigand/setup-conda@v1
	with:
	update-conda: true
	python-version: ${{ matrix.python-version }}
	conda-channels: anaconda, conda-forge
	- run: conda --version
	- run: which python

	- name: Install dependencies and Project
	run: \|
	#conda config --add channels conda-forge
	conda config --set channel_priority strict
	conda install -c conda-forge --file requirements.txt
	conda install scipy
	conda install pip

	pip install .
	pip install ase==3.22.1
	echo "${GITHUB_WORKSPACE}/bin" >> $GITHUB_PATH

	- name: Install Gfortran and Compile Driver
	shell: bash
	run: \|
	sudo apt-get update
	sudo apt-get install gfortran
	cd drivers/f90
	make

	- name: unit-tests
	shell: bash
	run: \|
	pwd
	i-pi-tests -t unit

	- name: regtests
	shell: bash
	run: \|
	pwd
	i-pi-tests -t regtests

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