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pin pyscf version

pin pyscf version #121

name: Build and upload to PyPI
on:
workflow_dispatch:
pull_request:
push:
branches:
- main
release:
types:
- published
jobs:
build_wheels:
name: Build wheels on ${{ matrix.os }}
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest, macos-latest]
steps:
- uses: actions/checkout@v3
- name: Build wheels
uses: pypa/[email protected]
- uses: actions/upload-artifact@v3
with:
path: ./wheelhouse/*.whl
build_sdist:
name: Build source distribution
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Build sdist
run: pipx run build --sdist
- uses: actions/upload-artifact@v3
with:
path: dist/*.tar.gz
upload_pypi:
needs: [build_wheels, build_sdist]
runs-on: ubuntu-latest
environment: pypi
permissions:
id-token: write
if: github.event_name == 'release' && github.event.action == 'published'
# or, alternatively, upload to PyPI on every tag starting with 'v' (remove on: release above to use this)
# if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
steps:
- uses: actions/download-artifact@v3
with:
# unpacks default artifact into dist/
# if `name: artifact` is omitted, the action will create extra parent dir
name: artifact
path: dist
- uses: pypa/gh-action-pypi-publish@release/v1