fix in gromosPP #1890

	name: CI

	on:
	push:
	branches:
	- "main"
	- "PyGromosTools_V1"
	- "release3"
	pull_request:
	branches:
	- "main"
	- "PyGromosTools_V1"
	- "release3"
	schedule:
	# Nightly tests run on master by default:
	# Scheduled workflows run on the latest commit on the default or base branch.
	# (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule)
	- cron: "0 0 1 * *"

	jobs:
	test:
	name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [macOS-latest, ubuntu-latest] #, windows-latest
	python-version: [3.7, 3.9.4] #

	steps:
	- uses: actions/checkout@v1

	- name: Additional info about the build
	shell: bash
	run: \|
	uname -a
	df -h
	ulimit -a


	- uses: mamba-org/provision-with-micromamba@main
	with:
	python-version: ${{ matrix.python-version }}
	environment-file: dev/conda_envs/test_env.yaml
	channels: conda-forge,defaults

	activate-environment: pygromosTest
	auto-update-conda: true
	auto-activate-base: false
	show-channel-urls: true

	- name: Install package

	# conda setup requires this special shell
	shell: bash -l {0}
	run: \|
	python -m pip install . --no-deps
	conda list


	- name: Run tests

	# conda setup requires this special shell
	shell: bash -l {0}

	run: \|
	pytest -v --color=yes pygromos/tests/ --cov=pygromos --cov-report=xml

	- name: CodeCov
	uses: codecov/codecov-action@v1
	with:
	file: ./coverage.xml
	flags: unittests
	name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}

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