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fix: schema lock for batched per-atom columns#34

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Ramlaoui merged 2 commits into
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ali/fix-batch-atom-property-schema
May 22, 2026
Merged

fix: schema lock for batched per-atom columns#34
Ramlaoui merged 2 commits into
mainfrom
ali/fix-batch-atom-property-schema

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@Ramlaoui Ramlaoui commented May 22, 2026

Summary

  • derive schema slot bytes separately from batch payload stride for per-atom batched columns
  • keep record slicing behavior unchanged
  • add regression coverage for variable-size custom atom_properties and float64 per-atom builtins
  • bump package/release metadata to 0.3.1

Closes #33

Tests

  • cargo fmt --check
  • INPUT_TAG=v0.3.1 python release version validation snippet from .github/workflows/release.yml
  • cd atompack-py && uv run --no-sync maturin develop
  • cd atompack-py && uv run --no-sync pytest tests/test_database.py -q -k "variable_size or custom_properties or float64_geometry"
  • cd atompack-py && uv run --no-sync pytest tests/test_database.py -q
  • cd atompack-py && uv run --no-sync pytest -q

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@Ramlaoui Ramlaoui force-pushed the ali/fix-batch-atom-property-schema branch from 457a864 to cd7bbba Compare May 22, 2026 11:00
@Ramlaoui Ramlaoui merged commit d6fadbe into main May 22, 2026
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@Ramlaoui Ramlaoui deleted the ali/fix-batch-atom-property-schema branch May 22, 2026 11:02
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add_arrays_batch rejects variable-size atom_properties due to per-atom schema slot_bytes

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