Issues

• [Code scan] Airflow example contains stale local paths and DAG assumptions

  deepmodeling/dpti#148 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] GDI example command and fixture paths are stale

  deepmodeling/dpti#147 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] check_oh_consist cannot run from the repository root

  deepmodeling/dpti#146 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] HTI systematic-error tests compare a value to itself

  deepmodeling/dpti#145 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] README workflow schema and DAG names do not match the code

  deepmodeling/dpti#144 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] block_avg crashes when no full block remains

  deepmodeling/dpti#143 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] POSCAR utilities drop standard unlabeled coordinate lines

  deepmodeling/dpti#142 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] LAMMPS dump box parser crashes on orthogonal boxes

  deepmodeling/dpti#141 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] Legacy setup_requires path can break package metadata builds

  deepmodeling/dpti#140 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] Conda package omits runtime dependencies while installing with --no-deps

  deepmodeling/dpti#139 · Filter by author njzjz opened on Jun 30, 2026

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

  deepmodeling/dpti#138 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] GDI sub-DAG polling treats queued runs as failures

  deepmodeling/dpti#137 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] GDI loop DAG crashes on missing Machine and Resources imports

  deepmodeling/dpti#136 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] Legacy SlurmJob module is not importable

  deepmodeling/dpti#135 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] Unknown remote scheduler statuses raise AttributeError

  deepmodeling/dpti#134 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] Remote job submission crashes when resources are omitted

  deepmodeling/dpti#133 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] relax cannot be imported as a package module

  deepmodeling/dpti#132 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] einstein CLI passes the wrong type to free_energy

  deepmodeling/dpti#131 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] list-valued spring_k crashes einstein.free_energy

  deepmodeling/dpti#130 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] Short Simpson HTI ranges swap statistical and integration errors

  deepmodeling/dpti#129 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] HTI range integration ignores the requested scheme

  deepmodeling/dpti#128 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] water.add_bonds fails assigning molecule IDs to hydrogens

  deepmodeling/dpti#127 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] Water HTI MBAR bond_angle_off uses the wrong branch

  deepmodeling/dpti#126 · Filter by author njzjz opened on Jun 30, 2026

• [Code scan] TI result JSON stores only one total error value

  deepmodeling/dpti#125 · Filter by author njzjz opened on Jun 30, 2026
  1

• [Code scan] NVT TI task generation references an unset pressure

  deepmodeling/dpti#124 · Filter by author njzjz opened on Jun 30, 2026