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docs(skills): expand extxyz format documentation in dpdata-cli skill #1304

docs(skills): expand extxyz format documentation in dpdata-cli skill

docs(skills): expand extxyz format documentation in dpdata-cli skill #1304

Workflow file for this run

name: Benchmark
on:
- push
- pull_request
jobs:
benchmark:
if: ${{ github.repository_owner == 'deepmodeling' }}
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v7
- name: Set up Python
uses: actions/setup-python@v6
with:
python-version: 3.12
- uses: astral-sh/setup-uv@v7
with:
enable-cache: true
cache-dependency-glob: |
**/requirements*.txt
**/pyproject.toml
- name: Install dependencies
run: uv pip install --system .[test,amber,ase,pymatgen,benchmark] rdkit 'openbabel>=3.2.0'
- name: Run benchmarks
uses: CodSpeedHQ/action@v4
with:
token: ${{ secrets.CODSPEED_TOKEN }}
mode: walltime
run: pytest benchmark/ --codspeed