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mphowardlab / lammpsio

Python tools for working with LAMMPS files
BSD 3-Clause "New" or "Revised" License
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Support zstd compressed dumps #45

Closed mphoward closed 5 months ago

mphoward commented 6 months ago

LAMMPS can use zstd to compress dump files, so lammpsio should also be able to read those files (like it does for gzip). @PhilLecl has opened PR #44 to read these files with pyzstd as an optional dependency, and the API is a clean drop in!

We should decide / do the following:

  1. Should we just make pyzstd as a required dependency? It is available on PyPI and conda-forge.
  2. Implement some unit tests as suggested.