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Vendor lammps-logfile 1.1.4 wheel for piplite - #422

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andeplane merged 1 commit into
andeplane:mainfrom
henriasv:lammps-logfile-1.1.4
Aug 31, 2026
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Vendor lammps-logfile 1.1.4 wheel for piplite#422
andeplane merged 1 commit into
andeplane:mainfrom
henriasv:lammps-logfile-1.1.4

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Swaps the vendored pypi/lammps_logfile-1.1.3-py3-none-any.whl for the wheel published to PyPI today as lammps-logfile 1.1.4 (sha256 matches the PyPI file), so %pip install lammps-logfile in Atomify notebooks picks it up on the next make jupyter / Pages deploy. No other changes — the piplite index is regenerated from pypi/ at build time.

Changes since 1.1.3 (changelog):

  • Thermo blocks that are not terminated by a Loop time line — e.g. a run that was stopped/canceled in Atomify — are now parsed correctly. Previously the trailing output was swallowed into the data as a garbage row, turning numeric columns into strings, so plotting a canceled run's log.lammps failed.
  • read_log on a non-mmappable stream (io.StringIO) now falls back to the line-based reader instead of returning an empty DataFrame.
  • Logs with many run commands no longer parse quadratically slowly (77 MB / 2000 runs: 56 s → 0.7 s).

Tested: wheel installs and imports as 1.1.4 (pure-Python py3-none-any, same dependency set as 1.1.3: pandas, numpy, matplotlib).

Replaces the 1.1.3 wheel in pypi/ with the wheel published to PyPI as
lammps-logfile 1.1.4 (2026-08-28). Changes since 1.1.3
(https://github.com/henriasv/lammps-logfile/blob/master/CHANGELOG.md):

- Thermo blocks not terminated by a "Loop time" line (interrupted or
  canceled runs) are parsed correctly instead of swallowing the trailing
  output as a garbage row that turns numeric columns into strings.
- read_log on a non-mmappable stream (io.StringIO) falls back to the
  line-based reader instead of returning an empty DataFrame.
- Logs with many run commands no longer parse quadratically slowly.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
@andeplane
andeplane merged commit d0a46b7 into andeplane:main Aug 31, 2026
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2 participants