Regenerate PySCF ddCOSMO/PCM testdata (#180) #74

	name: Publish package
	on:
	push:
	branches: [master]
	tags: ['v*']
	workflow_dispatch:

	jobs:
	publish_pypi:
	name: Publish 📦 to PyPI
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v2
	- uses: actions/setup-python@v1
	with:
	python-version: '3.9'
	- name: Install dependencies
	run: \|
	sudo apt-get install libopenblas-base
	python -m pip install --user pyscf cppe wheel
	python -m pip install --user -r requirements.txt
	- name: Run tests
	run: python setup.py test
	- name: Build a source tarball
	run: python setup.py sdist
	- name: Publish distribution 📦 to PyPI
	if: startsWith(github.ref, 'refs/tags')
	uses: pypa/gh-action-pypi-publish@master
	with:
	user: __token__
	password: ${{ secrets.pypi_password }}

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