new tutorials for C api by EricBoittier · Pull Request #320 · metatensor/metatomic

EricBoittier · 2026-09-08T14:02:28Z

Adds additional examples/tutorials to the C api section
these changes should go on top of #313 and the hot fix for MSVC (the windows C/C++ compiler)

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Tests updated (for new features and bugfixes)?
Documentation updated (for new features)?
Issue referenced (for PRs that solve an issue)?

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CHANGELOG updated with public API or any other important changes?

Luthaf

So this needs a bit more cleanup/organization before I can have a detailed look.

A lot of the prose still reads as LLM-generated and should be rewritten with your own words. Most tutorials would also benefit from having more comments and smaller blobs of code.

There are also a couple of tutorials I'm not sure are pulling their weight; mainly the symd one and the string/error/units one.

Luthaf · 2026-09-14T10:01:29Z

This should also be rebased on top of metatomic-core, not main =)

EricBoittier · 2026-09-14T13:11:57Z

So this needs a bit more cleanup/organization before I can have a detailed look.

A lot of the prose still reads as LLM-generated and should be rewritten with your own words. Most tutorials would also benefit from having more comments and smaller blobs of code.

There are also a couple of tutorials I'm not sure are pulling their weight; mainly the symd one and the string/error/units one.

Thanks! I cleaned up the tutorial (LLM slop, temporary files, other garbage) and rebased/squashed into 1 commit

deleted old files, and reordered examples del old file Refactor C API tutorials (clean slop) includes refining comments, enhancing explanations of DLPack tensor usage, and restructuring the tutorial flow for better understanding. typo - and some expected output Enhance C API tutorials with improved explanations and structure Refactor the examples to clarify the integration of DLPack tensors with existing simulation data. Update comments for better understanding of tensor creation and usage, and streamline the tutorial flow. Additionally, ensure consistency in terminology and enhance the overall readability of the code. Add inclusion of `<inttypes.h>` in `3-add-model.c` for consistent usage of PRIx64 across examples

EricBoittier · 2026-09-17T13:09:52Z

    build_doxygen_docs()
    generate_examples()

+    app.connect("builder-inited", add_extra_files_to_zips, priority=600)


600 is a magic number, or is there some rule to this?

it is above the default priority of 500 (which is used by sphinx-gallery), to make sure we run after it generated the initial zip

EricBoittier · 2026-09-17T13:10:42Z

Would you consider making this it's own example? seems like it would be useful to others

It is already mostly a copy of the code in the first tutprial

EricBoittier · 2026-09-17T13:12:15Z

-    int64_t* shape;
-    int64_t* strides;
-} CustomDLPackContext;
-


Nice, that's a lot cleaner

EricBoittier · 2026-09-17T13:13:01Z

    struct mts_array_t prop_array = make_mts_array(
-        distance_values, 2, (uintptr_t[]){1, 1},
-        (DLDataType){.code = kDLInt, .bits = 32, .lanes = 1}, 1
+        distance_values, (uintptr_t[]){1, 1}, 2, i32_dtype


much cleaner

EricBoittier · 2026-09-17T13:13:55Z

+
+// %%
+//
+// A minimal model


EricBoittier

Nicely done. Tutorial 4 reads much better now, too.

- add helpers in utils/, included in zip - simplify parts of the code - add a bunch of explanations

EricBoittier

👍

Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>

Luthaf mentioned this pull request Sep 8, 2026

Setup examples/tutorials for the C API #313

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Luthaf force-pushed the metatomic-core branch from fd943bc to eb2c093 Compare September 9, 2026 09:09

EricBoittier marked this pull request as ready for review September 10, 2026 11:52

EricBoittier marked this pull request as draft September 10, 2026 11:52

EricBoittier marked this pull request as ready for review September 10, 2026 12:56

EricBoittier force-pushed the repairHistory branch 2 times, most recently from 947dec7 to 32a2662 Compare September 10, 2026 14:43

Luthaf reviewed Sep 14, 2026

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Comment thread examples/c/3-add-model.c Outdated

Comment thread docs/src/_include/metatomic_force.c Outdated

Comment thread examples/c/4-strings-errors-units.c Outdated

EricBoittier force-pushed the repairHistory branch 3 times, most recently from 5d51d81 to 57a6659 Compare September 14, 2026 13:10

Luthaf reviewed Sep 14, 2026

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EricBoittier force-pushed the repairHistory branch from 9dd11f5 to 02021e8 Compare September 15, 2026 08:28

Luthaf mentioned this pull request Sep 15, 2026

Add more status code that can be used by models #330

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Luthaf force-pushed the repairHistory branch from 02021e8 to b116816 Compare September 17, 2026 12:58

Luthaf reviewed Sep 17, 2026

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Comment thread examples/c/4-plugin.c

EricBoittier commented Sep 17, 2026

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Comment thread examples/c/4-plugin.c

// %%

//

// A minimal model

EricBoittier Sep 17, 2026

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nice!

Luthaf force-pushed the repairHistory branch from b116816 to af0fc27 Compare September 17, 2026 13:16

EricBoittier commented Sep 17, 2026

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Luthaf force-pushed the repairHistory branch from af0fc27 to e79bc37 Compare September 17, 2026 14:30

Tweak C tutorials

f820926

- add helpers in utils/, included in zip - simplify parts of the code - add a bunch of explanations

Luthaf force-pushed the repairHistory branch from e79bc37 to f820926 Compare September 17, 2026 14:46

EricBoittier commented Sep 17, 2026

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Luthaf merged commit 96d2432 into metatensor:metatomic-core Sep 17, 2026
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EricBoittier added a commit to EricBoittier/metatomic that referenced this pull request Sep 25, 2026

C API tutorials for custom models and plugins (metatensor#320)

c755340

Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>

Luthaf added a commit that referenced this pull request Sep 29, 2026

C API tutorials for custom models and plugins (#320)

8c8be03

Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>

Luthaf added a commit that referenced this pull request Sep 29, 2026

C API tutorials for custom models and plugins (#320)

3666100

Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>

Luthaf added a commit that referenced this pull request Sep 30, 2026

C API tutorials for custom models and plugins (#320)

50b0ad9

Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>

Luthaf added a commit that referenced this pull request Oct 1, 2026

C API tutorials for custom models and plugins (#320)

41edba0

Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>

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EricBoittier commented Sep 8, 2026 •

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