Merge branch 'master' of github.com:zadorlab/sella #28

	name: release

	on:
	push:
	tags:
	- v*
	workflow_dispatch:

	jobs:
	build:
	name: Build wheels on ${{ matrix.os }}
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [ubuntu-latest, windows-latest, macos-13, macos-14]

	steps:
	- uses: actions/checkout@v4

	- uses: actions/setup-python@v4
	with:
	python-version: "3.11"

	- name: Install cibuildwheel
	run: python3 -m pip install cibuildwheel==2.16.5

	- name: Build wheels
	run: python3 -m cibuildwheel --output-dir wheelhouse

	- uses: actions/upload-artifact@v4
	with:
	name: cibw-${{ matrix.os }}-${{ strategy.job-index }}
	path: ./wheelhouse/*.whl

	make_sdist:
	name: Make SDist
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4

	- name: Set up Python
	uses: actions/setup-python@v4
	with:
	python-version: "3.11"

	- name: Install dependencies
	run: \|
	python3 -m pip install --upgrade pip build setuptools cython numpy scipy ase jax jaxlib
	python3 -m pip install -r requirements.txt

	- name: Build SDist
	run: python3 -m build --sdist

	- uses: actions/upload-artifact@v4
	with:
	name: cibw-sdist
	path: dist/*.tar.gz

	upload:
	needs: [build, make_sdist]
	runs-on: ubuntu-latest

	steps:
	- uses: actions/download-artifact@v4
	with:
	pattern: cibw-*
	path: dist
	merge-multiple: true

	- name: Set up Python
	uses: actions/setup-python@v4
	with:
	python-version: "3.11"

	- name: Upload with twine
	env:
	TWINE_USERNAME: ${{ secrets.TWINE_USERNAME }}
	TWINE_PASSWORD: ${{ secrets.TWINE_PASSWORD }}
	run: \|
	ls -l dist/*
	python3 -m pip install twine
	twine upload dist/*

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