Add method to parse crystal from cif string, update occpy, fix bug in… #57

	name: Build python wheels

	on:
	push:
	tags: "v*"
	pull_request:
	workflow_dispatch:
	inputs:
	upload_to_pypi:
	description: 'Upload to PyPI after building'
	required: false
	type: boolean
	default: false

	jobs:
	build_wheels:
	name: Build wheels on ${{ matrix.os }}
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [ubuntu-latest, macos-latest]
	pyver: [cp310, cp311, cp312, cp313]

	steps:
	- name: Checkout repos
	uses: actions/checkout@v4

	- name: Install uv
	uses: astral-sh/setup-uv@v5

	- name: Build wheels
	uses: pypa/cibuildwheel@v2.22.0
	env:
	CIBW_BUILD: ${{matrix.pyver}}-*
	CIBW_ARCHS_LINUX: auto64
	CIBW_ARCHS_MACOS: auto64 universal2
	CIBW_ARCHS_WINDOWS: auto64
	CIBW_BUILD_FRONTEND: "build[uv]"
	CIBW_TEST_SKIP: ${{matrix.pyver}}-*

	- name: Upload artifacts
	uses: actions/upload-artifact@v4
	with:
	path: ./wheelhouse/*.whl
	name: occpy-${{ matrix.os }}-${{ matrix.pyver }}

	upload_all:
	runs-on: ubuntu-latest
	needs: build_wheels
	environment:
	name: pypi
	url: https://pypi.org/p/occpy/
	permissions:
	id-token: write
	if: (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')) \|\| (github.event_name == 'workflow_dispatch' && inputs.upload_to_pypi)
	steps:
	- uses: actions/download-artifact@v4
	with:
	path: dist
	pattern: occpy-*
	merge-multiple: true

	- uses: pypa/gh-action-pypi-publish@release/v1

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