[Code scan] AiiDA workflow script starts work at import time

[njzjz]

Source: Codex global repository scan of deepmodeling/dpti at commit b719828.
Project: DeepModeling Agent Code Scan

Problem
workflow/DpFreeEnergy-aiida.py performs side effects at import/module execution time: it loads an AiiDA profile, reads ../examples/FreeEnergy.json, constructs an AiiDA Dict, and calls TI_workflow(). This makes parser scans or accidental imports capable of starting work or failing on a cwd-dependent path.

Code references

dpti/workflow/DpFreeEnergy-aiida.py

Line 14 in b719828

aiida.load_profile()

dpti/workflow/DpFreeEnergy-aiida.py

Line 326 in b719828

with open("../examples/FreeEnergy.json", "r") as f:

dpti/workflow/DpFreeEnergy-aiida.py

Line 331 in b719828

result = TI_workflow(dag_run=dag_run)

Reproduction
Run from the repository root:

python workflow/DpFreeEnergy-aiida.py

The script tries to read ../examples/FreeEnergy.json, which is outside this repository's examples/ directory; if that path existed, it would proceed to run the workflow immediately.

Expected result
Executable workflow code should be guarded by if __name__ == '__main__': and should resolve example paths relative to the script or repository root.