drop RepLieGroups dependency

Author: jameskermode

Project.toml

@@ -36,7 +36,6 @@ Polynomials4ML = "03c4bcba-a943-47e9-bfa1-b1661fc2974f"
 PrettyTables = "08abe8d2-0d0c-5749-adfa-8a2ac140af0d"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
-RepLieGroups = "f07d36f2-91c4-427a-b67b-965fe5ebe1d2"
 Roots = "f2b01f46-fcfa-551c-844a-d8ac1e96c665"
 SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
 SpheriCart = "5caf2b29-02d9-47a3-9434-5931c85ba645"
@@ -61,20 +60,19 @@ ChunkSplitters = "3.0"
 EquivariantTensors = "0.3"
 ExtXYZ = "0.2.0"
 Interpolations = "0.15"
+Lux = "1.25"
+LuxCore = "1"
+NamedTupleTools = "0.13, 0.14"
+Optimisers = "0.3.4, 0.4"
+Polynomials4ML = "0.5"
 PrettyTables = "1.3, 2.0"
 Reexport = "1"
+SparseArrays = "1.10"
+SpheriCart = "0.2"
 StaticArrays = "1"
 YAML = "0.4"
-Lux = "1.25"
-LuxCore = "1"
-RepLieGroups = "0.1.1"
-Optimisers = "0.3.4, 0.4"
-Polynomials4ML = "0.5" 
 Zygote = "0.6, 0.7"
 julia = "1.10, 1.11, 1.12"
-SparseArrays = "1.10"
-NamedTupleTools = "0.13, 0.14"
-SpheriCart = "0.2"
 
 [extras]
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"

docs/src/index.md

@@ -24,7 +24,7 @@ ACE models are defined in terms of body-ordered invariant features of atomic env
 ### Key Dependencies
 
 * [`Polynomials4ML.jl`](https://github.com/ACEsuit/Polynomials4ML.jl) : basic kernels for embeddings and tensors
-* [`RepLieGroups.jl`](https://github.com/ACEsuit/RepLieGroups.jl) : coupling coefficients for equivariant tensors
+* [`EquivariantTensors.jl`](https://github.com/ACEsuit/EquivariantTensors.jl) : tools to build equivariant tensors
 * [`ACEfit.jl`](https://github.com/ACEsuit/ACEfit.jl) : unified interface to various regression algorithms
 * [`AtomsBase.jl`](https://github.com/JuliaMolSim/AtomsBase.jl) : community interface for atomic structures / systems
 * [`AtomsCalculators.jl`](https://github.com/JuliaMolSim/AtomsCalculators.jl) : community interface for computing properties of systems

src/models/ace.jl

@@ -6,7 +6,6 @@ using StaticArrays: SVector
 using LinearAlgebra: norm, dot
 using Polynomials4ML: real_sphericalharmonics, real_solidharmonics
 
-import RepLieGroups
 import EquivariantTensors
 
 
@@ -675,4 +674,4 @@ function evaluate_basis_ed(model::ACEModel,
    dB = collect(permutedims(reshape(dB1, length(Rs), length(B)), (2, 1)))
 
    return B, dB
-end
+end