set no_horto to 1 when max_scf_cycles to avoid issues in ROH #179

	# This workflow will upload a Python Package using Twine when a release is created

	name: Test & upload to PyPI

	on: [push, pull_request]

	jobs:

	test_code:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: [ 3.7, 3.8, 3.9 ]

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install flake8 pytest
	if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
	- name: Lint with flake8
	run: \|
	# stop the build if there are Python syntax errors or undefined names
	flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics --ignore=F821
	# 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 --ignore=F821
	- name: install code
	run: \|
	python setup.py install
	- name: Test with pytest
	run: \|
	cd tests
	pytest

	deploy:

	runs-on: ubuntu-latest
	needs: [ test_code ]
	if: github.ref == 'refs/heads/master'
	steps:
	- uses: actions/checkout@v2
	- name: Set up Python
	uses: actions/setup-python@v2
	with:
	python-version: '3.x'
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install build
	- name: Build package
	run: python -m build
	- name: Publish package
	uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29
	with:
	user: __token__
	password: ${{ secrets.PYPI_API_TOKEN }}
	skip_existing: true

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