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fix: the replicate will fail if the atom types of system is not sorted #1

fix: the replicate will fail if the atom types of system is not sorted

fix: the replicate will fail if the atom types of system is not sorted #1

Workflow file for this run

name: Publish Python distributions to PyPI
on: push
jobs:
build-n-publish:
if: github.repository_owner == 'deepmodeling'
name: Build and publish Python distributions to PyPI
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@master
- name: Set up Python 3.9
uses: actions/setup-python@master
with:
python-version: 3.9
- name: Install pypa/build
run: >-
python -m
pip install
build
--user
- name: Build a binary wheel and a source tarball
run: >-
python -m
build
--sdist
--wheel
--outdir dist/
.
- name: Publish distribution to PyPI
if: startsWith(github.ref, 'refs/tags')
uses: pypa/gh-action-pypi-publish@master
with:
password: ${{ secrets.PYPI_API_TOKEN }}