rel: try to test v0.2.0#431

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HaoZeke wants to merge 41 commits into

metatensor:mainfrom

HaoZeke:test/metatensor-v0.2.0

Commits on Apr 6, 2026

test: migrate featomic to metatensor v0.2.0 (labels-values-array-clean)
HaoZeke
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fix: LabelValue is now i32 alias -- remove ::new(), .usize(), .i32(), .into()
HaoZeke
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fix: escape # in tox.ini git URLs to prevent comment stripping
HaoZeke
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fix: adapt to LabelValue=i32 -- dereference iter_fixed_size, cast usize to i32
HaoZeke
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fix: comprehensive LabelValue=i32 migration -- deref, casts, Array trait
HaoZeke
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fix: deref center_type_key in atomic_composition comparison
HaoZeke
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fix: test code -- deref &i32, ArcArray comparisons, usize casts
HaoZeke
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fix: to_array -> to_ndarray in lode-madelung integration test
HaoZeke
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fix: integration tests -- to_array->to_ndarray, keys_to_* fill_value arg
HaoZeke
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fix: soap-power-spectrum test -- ArcArray compat, deref atom
HaoZeke
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fix: integration tests -- ArcArray comparison, atom deref, fill_value
HaoZeke
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fix: use real ArcArray for fill_value instead of EmptyArray (panics on as_dlpack)
HaoZeke
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fix: cmake FetchContent points to labels-values-array-clean branch for metatensor
HaoZeke
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fix: c_api/calculator.rs -- migrate to opaque mts_labels_t (clone instead of field access)
HaoZeke
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fix: c_api -- unsafe blocks for Labels::from_raw, correct Error::External variant
HaoZeke
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fix: bump METATENSOR_REQUIRED_VERSION to 0.2 for cmake find_package compat
HaoZeke
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fix: featomic.hpp -- mts_labels_t fields to const pointers (opaque type)
HaoZeke
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fix: cxx tests -- DLPackArray to NDArray conversion for comparisons
HaoZeke
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fix: cxx test -- SimpleDataArray<double> template param
HaoZeke
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fix: unique_ptr<SimpleDataArray<double>> template
HaoZeke
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fix: c-calculator segfault -- keep DLPack handle alive while using data pointer
HaoZeke
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fix: c-calculator -- copy DLPack data into vector before handle cleanup, simplify label checks
HaoZeke
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debug: add error logging to query_labels DLPack export
HaoZeke
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Commits on Apr 8, 2026

Commits on May 6, 2026

fix: adapt featomic to label array API
HaoZeke
committed