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:
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And the following packages as optional: |
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* ase (for LAMMPS interface) |
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* 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.
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 onlyaseandmpi4pyas optional packages. Users following the docs can hitModuleNotFoundErrorwhen running the example.Code references:
tbplas/examples/interface/deeph/read_deeph.py
Line 19 in 4d3652b
tbplas/doc/source/install.rst
Lines 53 to 56 in 4d3652b
https://github.com/deepmodeling/tbplas/blob/4d3652b3dba8eb930e4869a6d41074f62d703692/INSTALL.rst#L53-L56
Suggested fix: add an optional dependency group for the DeepH interface or document
h5pyalongside the other optional packages.