Skip to content

[Code scan] Add the missing h5py dependency for the DeepH example #25

Description

@njzjz

This issue comes from a Codex global scan of deepmodeling/tbplas at commit 4d3652b.

Severity: Low

The DeepH interface example imports h5py, but the install documentation lists only ase and mpi4py as optional packages. Users following the docs can hit ModuleNotFoundError when running the example.

Code references:


And the following packages as optional:
* ase (for LAMMPS interface)
* mpi4py (for hybrid MPI+OpenMP parallelization)

https://github.com/deepmodeling/tbplas/blob/4d3652b3dba8eb930e4869a6d41074f62d703692/INSTALL.rst#L53-L56

Suggested fix: add an optional dependency group for the DeepH interface or document h5py alongside the other optional packages.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    Status
    Todo

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions