Merge pull request #29 from SMTG-UCL/pymatgen_refactor #22

	name: Release and publish

	on:
	push:
	branches:
	- master
	tags:
	- 'v' # Push events to matching v, i.e. v1.0, v20.15.10

	jobs:
	release:
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v2

	- uses: actions/setup-python@v1
	with:
	python-version: 3.9

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install setuptools setuptools_scm wheel
	pip install numpy
	pip install -e .
	pip install -e .[tests]

	# - name: Test # To be added later
	# run: \|
	# pytest --ignore local_doped_testing # test everything

	- name: Build packages
	run: \|
	python3 -m pip install --upgrade build
	python3 -m build

	- name: Publish
	uses: pypa/gh-action-pypi-publish@master
	with:
	password: ${{ secrets.PYPI_API_TOKEN }}

	- name: Write release info
	run: \|
	awk 'BEGIN {p = 0} {a = 0 }; /^v\d.\d.\d./ { p += 1; a = 1}; p + a == 1 { print } ' CHANGELOG.rst \| sed -e '1,1d' \| sed -e '/./,$!d' -e :a -e '/^\n$/{$d;N;ba' -e '}' > release_info.txt

	- name: Get Release Tag
	run: \|
	VERSION=$(grep version pyproject.toml \| awk '{print $NF}' \| tr -d '"' \| head -1)
	echo "version=${VERSION}" >> $GITHUB_ENV

	- name: Release
	uses: actions/create-release@v1
	id: create_release

	env:
	GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
	with:
	tag_name: ${{ env.version }}
	release_name: ${{ env.version }}
	body_path: release_info.txt
	draft: false
	prerelease: false

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