Implement a C API for metatomic - #232

Draft

Luthaf wants to merge 43 commits into

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Commits on Aug 28, 2026

Add an empty metatomic-core python package, re-exporting metatomic-torch
Luthaf
committed
ca05e07
Use pathlib for all path manipulations
Luthaf
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70c044a
Switch main test runner from tox to cargo
Luthaf
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15c5a60
Scaffold a new metatomic-core package
Luthaf
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14746e2
Draft the C API for metatomic-core
Luthaf
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114625e
Implement PairListOptions json serialization

sofiia-chorna
authored and
Luthaf
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7ab62fa
Implement JSON serialization for `Quantity`

GardevoirX
and
Luthaf
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1b7b3de
Validate quantities names
Luthaf
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0b44828
Implement JSON serialization for ModelMetadata

alessandroforina
and
Luthaf
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5c0f917
Add error handling based on metatensor

RMeli
authored and
Luthaf
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ae8ebd4
Implement mta_string_t in the C API

johannes-spies
authored and
Luthaf
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1753a2b
Port unit parsing from metatomic-torch
Luthaf
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f946bde
document mta_model_t and related functions in C API

sofiia-chorna
authored and
Luthaf
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237eff8
Add ModelCapabilities to the JSON structs
Luthaf
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7b72efb
Implement plugin registration and loading, model loading

frostedoyster
and
Luthaf
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d2a98f8
Add a C model registration test

frostedoyster
authored and
Luthaf
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a79a644
Implement System in metatomic-core

Luthaf
and
frostedoyster
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9fcb4c6
Implement `mta_format_metadata`

GardevoirX
authored and
Luthaf
committed
1f0ef3d
Add unit conversion and error handling to C++

RMeli
authored and
Luthaf
committed
3004765
Add C++ documentation
Luthaf
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37dcef8
Expose mta_model_t function in rust's Model struct

alessandroforina
authored and
Luthaf
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b609b74
Cleanup CMake code calling cargo
Luthaf
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d917540
C++ API to format model metadata (#266)

RMeli
authored and
Luthaf
committed
0ff083f
Add C++ API for loading plugins

RMeli
authored and
Luthaf
committed
488ec5f
Re-enable Windows Rust tests
Luthaf
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b0fa6ff
Add a C API for systems
Luthaf
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afa36ec
Separate C++ and C API tests
Luthaf
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1ff1453
Better fix to "no module named __pip__" in tests
Luthaf
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4c9d00b
Bump MSRV to 1.88
Luthaf
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f8a8ab4
Update to edition 2024
Luthaf
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41d4a14
Implement serialization for Systems

Luthaf
and
frostedoyster
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d0b7b25
Remove double indirection (Box + Arc) in mta_system_t
Luthaf
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d726ddb
C++ metadata classes with JSON serialization/deserialization (#277)

RMeli
authored and
Luthaf
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7c3cd14
Implement System in the C++ API

frostedoyster
authored and
Luthaf
committed
ef0b039
Group all code accessing values in a new `kernels` module
Luthaf
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310cfe3
Add cuda kernels for system validation
Luthaf
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b9c4e43
Add custom metal kernels for system validation
Luthaf
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ce312f1
Cache reference values on device
Luthaf
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b0ad08b
Remove cargo caching in CI, it interacts badly with our setup
Luthaf
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147dd52
Use an output parameter in mta_load{_buffer}
Luthaf
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948aed6
Refactory quantity name parsing, keep the separate components accessible
Luthaf
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679b5ee
Add function to check that Quantity match the expected layout

GardevoirX
and
Luthaf
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aa9180a
Update to metatensor-core v0.2.4
Luthaf
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1637cfb