Metadata-Version: 2.5
Name: ace-jax-coupling
Version: 0.2.0
Summary: EquivariantTensors.jl SO(3) coupling tables for ace-jax, as a juliac-compiled library (no Julia needed)
Project-URL: Homepage, https://github.com/ACEsuit/ace-jax
Author: ACEsuit contributors
License-Expression: MIT AND BSD-2-Clause AND BSD-3-Clause AND (BSD-3-Clause WITH PCRE2-exception) AND ISC AND Zlib AND LGPL-2.1-or-later AND LGPL-3.0-or-later AND (GPL-3.0-or-later WITH GCC-exception-3.1) AND LicenseRef-Public-Domain
License-File: LICENSE
License-File: THIRD_PARTY_NOTICES.md
License-File: licenses/EquivariantTensors.txt
License-File: licenses/GCC-exception-3.1.txt
License-File: licenses/GPL-2.0.txt
License-File: licenses/GPL-3.0.txt
License-File: licenses/Julia-THIRDPARTY.md
License-File: licenses/Julia.txt
License-File: licenses/LGPL-2.1.txt
License-File: licenses/LGPL-3.0.txt
License-File: licenses/Libiconv.txt
License-File: licenses/OpenBLAS.txt
License-File: licenses/OpenSpecFun.txt
License-File: licenses/PCRE2.txt
License-File: licenses/SuiteSparse-AMD.txt
License-File: licenses/SuiteSparse-BTF.txt
License-File: licenses/SuiteSparse-CAMD.txt
License-File: licenses/SuiteSparse-CCOLAMD.txt
License-File: licenses/SuiteSparse-COLAMD.txt
License-File: licenses/SuiteSparse-KLU.txt
License-File: licenses/SuiteSparse-LDL.txt
License-File: licenses/SuiteSparse_config.txt
License-File: licenses/libblastrampoline.txt
License-File: licenses/libunwind.txt
License-File: licenses/openlibm.txt
License-File: licenses/winpthreads.txt
License-File: licenses/zlib.txt
License-File: licenses/zstd.txt
Requires-Python: >=3.11
Requires-Dist: numpy>=1.24
Description-Content-Type: text/markdown

# ace-jax-coupling

The SO(3) coupling tables that [ace-jax](https://github.com/ACEsuit/ace-jax)
needs to author a *new* ACE basis shape, computed by
[EquivariantTensors.jl](https://github.com/ACEsuit/EquivariantTensors.jl)
compiled ahead of time with `juliac --trim=safe`. The wheel contains a
trimmed Julia runtime plus the compiled library; **no Julia installation is
needed**, and nothing is downloaded at runtime.

- Install through ace-jax: `pip install "ace-jax[basis]"` (once published; until
  then build the wheel from `coupling/`).
- Platforms: Linux x86_64 / aarch64 (manylinux_2_28), macOS arm64 (11+), Windows x64.
- `ace_jax_coupling.build_info()` reports the EquivariantTensors source
  (repository + commit), Julia and JuliaC versions of the build.
- `ACEJAX_COUPLING_LIB=<bundle>/lib/libetcouple.<so|dylib>` points the package
  at a locally built library (development).

API: `couple_raw(mb_spec, Rnl_spec, Ylm_spec) -> RawCoupling` (0-based index
arrays; see ace-jax `docs/coupling-etshim-spec.md`). Licences of the bundled
components: `THIRD_PARTY_NOTICES.md`.
