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fix the bug for parsing stresses and forces from restart md output #174

fix the bug for parsing stresses and forces from restart md output

fix the bug for parsing stresses and forces from restart md output #174

Workflow file for this run

name: Publish Python distributions to PyPI
on: [push]
jobs:
pypi-publish:
name: Upload release to PyPI
runs-on: ubuntu-latest
environment:
name: pypi
url: https://pypi.org/p/cp2kdata
permissions:
id-token: write # IMPORTANT: this permission is mandatory for trusted publishing
steps:
# retrieve your distributions here
- 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 package distributions to PyPI
if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags')
uses: pypa/gh-action-pypi-publish@release/v1