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