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Rust changes: - as_array() -> as_ndarray(), as_array_mut() -> as_ndarray_mut(), to_array_mut() -> to_ndarray_mut() across all source files - move_samples_from -> move_data with mts_data_movement_t - Array trait: removed data(), added device(), dtype(), as_dlpack() - create() now takes fill_value: MtsArray parameter - keys_to_samples/keys_to_properties now require fill_value argument - Added dlpk dependency for DLPack types - Cargo.toml points metatensor at git branch C/C++ changes: - calculator.cpp: rewrote all mts_labels_t usage for opaque API (mts_labels_create, mts_labels_dimensions, mts_labels_values, DLPack) - helpers.cpp: updated empty_array vtable with device/dtype/create - compute-soap.c, profiling.c: migrated data() -> as_dlpack, keys_to_samples/properties to new pointer-based labels API tox.ini: metatensor deps point to labels-values-array-clean branch
… .into() LabelValue changed from newtype to `type LabelValue = i32`. - LabelValue::new(x) -> (x as i32) - val.usize() -> val as usize - val.i32() -> val (identity) - usize_var.into() -> usize_var as i32
…ze to i32 - iter_fixed_size now yields [&i32; N], use & in destructuring patterns - builder.add with usize args needs explicit as i32 cast - .into() on usize/integer literals replaced with as i32 or _i32 suffix
- Fix all iter_fixed_size &i32 destructuring patterns - Fix all builder.add usize->i32 casts - Fix ArrayD -> ArcArray for TensorBlock::new (.into_shared()) - Fix remaining .into() and LabelValue::from() calls - Fix range expressions with &i32
…tead of field access)
…up, simplify label checks
This reverts commit 4ad7260.
Removes the direct dlpk git dependency from Cargo.toml (which caused cargo package to fail since dlpk has no crates.io version). Instead, use metatensor's re-export of the dlpk crate.
Reverts tox.ini to loose version constraints. CI workflows clone the labels-values-array-clean branch and pre-install metatensor packages before running tox. Disables build-wheels (packaging requires released metatensor).
…tox gets it from PyPI)
…example, disable packaging jobs
…ch), re-enable all CI jobs
…anch in featomic-torch cmake
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........ WIP.