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Use lammps.js 1.6.2 (latest LAMMPS, stable_30Sep2026_update1) - #482

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claude/project-thread-a69c6r
Nov 5, 2026
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andeplane merged 1 commit into
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claude/project-thread-a69c6r

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Requested by Anders Hafreager · project thread

Moves Atomify to lammps.js 1.6.2, which builds the newest LAMMPS release, stable_30Sep2026_update1 (2026-10-29). It also fixes a wasm stack overflow that made KOKKOS runs with pair_style hybrid die with exit(142), which affected the methane, water_methane and alkane_chain_single examples (lammps.js#10).

Changes

  • lammps.js is pinned to 1.6.2 (was 1.6.1), with the lockfile updated.
  • pypi/lammps_js-1.6.2-py3-none-any.whl replaces the 1.6.1 wheel, built from lammps.js master python/, so check_lammps_versions.mjs passes.

Testing

  • npm run test:examples (threaded atomify engine) against the 1.6.2 atomify module built locally from the same source: 53/53 pass, run in 4 batches.

Generated by Claude Code

1.6.2 builds the newest LAMMPS release and raises the wasm stack to 2MB,
fixing exit(142) crashes in KOKKOS runs with pair_style hybrid. Vendored
Python wheel updated to match.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01E2eZ9wzZguWV7j6wS6gTSg
@andeplane andeplane self-assigned this Nov 5, 2026
@andeplane
andeplane marked this pull request as ready for review November 5, 2026 13:32
@andeplane
andeplane merged commit 7a23b7b into main Nov 5, 2026
4 of 6 checks passed
@andeplane
andeplane deleted the claude/project-thread-a69c6r branch November 5, 2026 13:32
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