Preparing for release. #53

	name: BranchCI

	on:
	push:
	branches-ignore:
	- 'main'

	jobs:
	light-ci:
	name: Lint ubuntu-latest Py3.9
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v1
	with:
	# This gets all branches (1 = only current branch)
	fetch-depth: 0
	- name: Additional info about the build
	shell: bash
	run: \|
	uname -a
	df -h
	ulimit -a
	# More info on options: https://github.com/conda-incubator/setup-miniconda
	- uses: conda-incubator/setup-miniconda@v2
	with:
	python-version: 3.9
	environment-file: devtools/conda-envs/test_env.yaml
	activate-environment: test
	auto-update-conda: false
	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 linters
	shell: bash -l {0}
	run: \|
	black --check --diff molsystem tests
	flake8 molsystem tests
	- name: Run tests
	shell: bash -l {0}
	run: \|
	pytest -v --cov=molsystem --cov-report=xml --color=yes tests/
	- name: CodeCov
	uses: codecov/codecov-action@v2
	with:
	file: ./coverage.xml
	flags: unittests
	name: codecov-ubuntu-latest-py3.9
	- name: Build documentation
	env:
	GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
	shell: bash -l {0}
	run: \|
	docs/buildDocs.sh

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