Improve the error handling in the backward and forward convergence (#… #110

	name: Build and upload to PyPI

	on:
	push:
	branches:
	- master
	tags:
	- "*"
	release:
	types:
	- published


	concurrency:
	group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
	cancel-in-progress: true


	defaults:
	run:
	shell: bash -l {0}


	jobs:
	build_wheels:
	environment: deploy
	if: "github.repository == 'alchemistry/alchemlyb'"
	name: Build pure Python wheel and tarball
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v3
	with:
	fetch-depth: 0

	- name: setup_miniconda
	uses: conda-incubator/setup-miniconda@v2
	with:
	python-version: "3.10"
	auto-update-conda: true
	add-pip-as-python-dependency: true
	architecture: x64

	- name: install_deps
	run: \|
	python -m pip install build

	- name: build
	run: \|
	python -m build --sdist --wheel --outdir dist/

	- name: publish_testpypi
	# Upload to testpypi on every tag
	if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
	uses: pypa/gh-action-pypi-publish@release/v1
	with:
	password: ${{ secrets.TEST_PYPI_API_TOKEN }}
	repository_url: https://test.pypi.org/legacy/

	- name: publish_pypi
	if: github.event_name == 'release' && github.event.action == 'published'
	uses: pypa/gh-action-pypi-publish@release/v1
	with:
	password: ${{ secrets.PYPI_API_TOKEN }}

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