Package evaluation of Polynomials4ML on Julia 1.10.9 (96dc2d8c45*) started at 2025-06-06T17:21:58.482 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 5.14s ################################################################################ # Installation # Installing Polynomials4ML... Resolving package versions... Installed Polynomials4ML ─ v0.4.1 Updating `~/.julia/environments/v1.10/Project.toml` [03c4bcba] + Polynomials4ML v0.4.1 Updating `~/.julia/environments/v1.10/Manifest.toml` [14bae519] + ACEbase v0.4.4 [79e6a3ab] + Adapt v4.3.0 [dce04be8] + ArgCheck v2.5.0 [a9b6321e] + Atomix v1.1.1 [6e4b80f9] + BenchmarkTools v1.6.0 [8ce10254] + Bumper v0.7.1 [d360d2e6] + ChainRulesCore v1.25.1 [6309b1aa] + CodecInflate64 v0.1.3 [944b1d66] + CodecZlib v0.7.8 [861a8166] + Combinatorics v1.0.3 [bbf7d656] + CommonSubexpressions v0.3.1 [34da2185] + Compat v4.16.0 [864edb3b] + DataStructures v0.18.22 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [8d63f2c5] + DispatchDoctor v0.4.19 [ffbed154] + DocStringExtensions v0.9.4 [f6369f11] + ForwardDiff v1.0.1 [46192b85] + GPUArraysCore v0.2.0 [0c81fc1b] + InputBuffers v1.0.1 [92d709cd] + IrrationalConstants v0.2.4 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [63c18a36] + KernelAbstractions v0.9.34 [2ab3a3ac] + LogExpFunctions v0.3.29 [bb33d45b] + LuxCore v1.2.6 [1914dd2f] + MacroTools v0.5.16 [77ba4419] + NaNMath v1.1.3 [bac558e1] + OrderedCollections v1.8.1 [69de0a69] + Parsers v2.8.3 [03c4bcba] + Polynomials4ML v0.4.1 ⌅ [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [1fd47b50] + QuadGK v2.11.2 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [276daf66] + SpecialFunctions v2.5.1 [5caf2b29] + SpheriCart v0.2.2 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [69024149] + StringEncodings v0.3.7 [3bb67fe8] + TranscodingStreams v0.11.3 [c4a57d5a] + UnsafeArrays v1.0.8 [013be700] + UnsafeAtomics v0.3.0 [fb1aa66a] + WithAlloc v0.1.1 [ddb6d928] + YAML v0.4.14 [49080126] + ZipArchives v2.4.1 [94ce4f54] + Libiconv_jll v1.18.0+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [56f22d72] + Artifacts [2a0f44e3] + Base64 [ade2ca70] + Dates [b77e0a4c] + InteractiveUtils [8f399da3] + Libdl [37e2e46d] + LinearAlgebra [56ddb016] + Logging [d6f4376e] + Markdown [a63ad114] + Mmap [de0858da] + Printf [9abbd945] + Profile [9a3f8284] + Random [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization [2f01184e] + SparseArrays v1.10.0 [10745b16] + Statistics v1.10.0 [fa267f1f] + TOML v1.0.3 [8dfed614] + Test [cf7118a7] + UUIDs [4ec0a83e] + Unicode [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [4536629a] + OpenBLAS_jll v0.3.23+4 [05823500] + OpenLibm_jll v0.8.5+0 [bea87d4a] + SuiteSparse_jll v7.2.1+1 [83775a58] + Zlib_jll v1.2.13+1 [8e850b90] + libblastrampoline_jll v5.11.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Installation completed after 9.0s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 28.45s ################################################################################ # Testing # Testing Polynomials4ML Status `/tmp/jl_szPuFZ/Project.toml` [14bae519] ACEbase v0.4.4 [6e4b80f9] BenchmarkTools v1.6.0 [8ce10254] Bumper v0.7.1 [d360d2e6] ChainRulesCore v1.25.1 [861a8166] Combinatorics v1.0.3 [f6369f11] ForwardDiff v1.0.1 [46192b85] GPUArraysCore v0.2.0 [63c18a36] KernelAbstractions v0.9.34 [bb33d45b] LuxCore v1.2.6 [3bd65402] Optimisers v0.4.6 [03c4bcba] Polynomials4ML v0.4.1 [1fd47b50] QuadGK v2.11.2 [276daf66] SpecialFunctions v2.5.1 [5caf2b29] SpheriCart v0.2.2 [90137ffa] StaticArrays v1.9.13 [fb1aa66a] WithAlloc v0.1.1 [e88e6eb3] Zygote v0.7.8 [37e2e46d] LinearAlgebra [de0858da] Printf [9a3f8284] Random [2f01184e] SparseArrays v1.10.0 [8dfed614] Test Status `/tmp/jl_szPuFZ/Manifest.toml` [14bae519] ACEbase v0.4.4 [621f4979] AbstractFFTs v1.5.0 [79e6a3ab] Adapt v4.3.0 [dce04be8] ArgCheck v2.5.0 [a9b6321e] Atomix v1.1.1 [6e4b80f9] BenchmarkTools v1.6.0 [8ce10254] Bumper v0.7.1 [082447d4] ChainRules v1.72.4 [d360d2e6] ChainRulesCore v1.25.1 [6309b1aa] CodecInflate64 v0.1.3 [944b1d66] CodecZlib v0.7.8 [861a8166] Combinatorics v1.0.3 [bbf7d656] CommonSubexpressions v0.3.1 [34da2185] Compat v4.16.0 [187b0558] ConstructionBase v1.5.8 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [8d63f2c5] DispatchDoctor v0.4.19 [ffbed154] DocStringExtensions v0.9.4 [1a297f60] FillArrays v1.13.0 [f6369f11] ForwardDiff v1.0.1 [d9f16b24] Functors v0.5.2 [46192b85] GPUArraysCore v0.2.0 [7869d1d1] IRTools v0.4.14 [0c81fc1b] InputBuffers v1.0.1 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [63c18a36] KernelAbstractions v0.9.34 [2ab3a3ac] LogExpFunctions v0.3.29 [bb33d45b] LuxCore v1.2.6 [1914dd2f] MacroTools v0.5.16 [77ba4419] NaNMath v1.1.3 [3bd65402] Optimisers v0.4.6 [bac558e1] OrderedCollections v1.8.1 [69de0a69] Parsers v2.8.3 [03c4bcba] Polynomials4ML v0.4.1 ⌅ [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [1fd47b50] QuadGK v2.11.2 [c1ae055f] RealDot v0.1.0 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.1 [dc90abb0] SparseInverseSubset v0.1.2 [276daf66] SpecialFunctions v2.5.1 [5caf2b29] SpheriCart v0.2.2 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [69024149] StringEncodings v0.3.7 [09ab397b] StructArrays v0.7.1 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [3bb67fe8] TranscodingStreams v0.11.3 [c4a57d5a] UnsafeArrays v1.0.8 [013be700] UnsafeAtomics v0.3.0 [fb1aa66a] WithAlloc v0.1.1 [ddb6d928] YAML v0.4.14 [49080126] ZipArchives v2.4.1 [e88e6eb3] Zygote v0.7.8 [700de1a5] ZygoteRules v0.2.7 [94ce4f54] Libiconv_jll v1.18.0+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [56f22d72] Artifacts [2a0f44e3] Base64 [ade2ca70] Dates [8ba89e20] Distributed [b77e0a4c] InteractiveUtils [8f399da3] Libdl [37e2e46d] LinearAlgebra [56ddb016] Logging [d6f4376e] Markdown [a63ad114] Mmap [de0858da] Printf [9abbd945] Profile [9a3f8284] Random [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization [6462fe0b] Sockets [2f01184e] SparseArrays v1.10.0 [10745b16] Statistics v1.10.0 [4607b0f0] SuiteSparse [fa267f1f] TOML v1.0.3 [8dfed614] Test [cf7118a7] UUIDs [4ec0a83e] Unicode [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [4536629a] OpenBLAS_jll v0.3.23+4 [05823500] OpenLibm_jll v0.8.5+0 [bea87d4a] SuiteSparse_jll v7.2.1+1 [83775a58] Zlib_jll v1.2.13+1 [8e850b90] libblastrampoline_jll v5.11.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... [ Info: Testing OrthPolyBasis1D3T [ Info: Test a randomly generated polynomial basis - 1 + [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 11) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 11) ++++++++++++++++ [ Info: Test a randomly generated polynomial basis - 2 + [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 11) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 11) ++++++++++++++++ [ Info: Test a randomly generated polynomial basis - 3 + [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 14) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 14) ++++++++++++++++ [ Info: Test the Legendre polynomials [ Info: orthogonality Test Passed [ Info: derivatives [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 20) ++++++++++++++++ [ Info: Test Random Jacobi Polynomials [ Info: α = 1.9048829450123588, β = 1.7232866222400867 [ Info: orthogonality Test Passed [ Info: derivatives, etc [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 20) ++++++++++++++++ [ Info: Test Random Jacobi Polynomials [ Info: α = 1.7681619870366576, β = 1.6972131075945205 [ Info: orthogonality Test Passed [ Info: derivatives, etc [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 20) ++++++++++++++++ [ Info: Test Random Jacobi Polynomials [ Info: α = 1.175876716771727, β = 1.5365009796047553 [ Info: orthogonality Test Passed [ Info: derivatives, etc [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 20) ++++++++++++++++ [ Info: Test normalized cheb basis [ Info: coeffs Test Passed [ Info: orthogonality Test Passed [ Info: derivatives, etc [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Testing KA implementation of OrthPolyBasis1D3T(maxn = 20) ++++++++++++++++ [ Info: Test chebyshev_basis vs ChebBasis{N} ++++++++++++++++++++ [ Info: Check correctness of Chebyshev Basis (normalize=false) [ Info: recursion coefficients Test Passed [ Info: consistency with ChebBasis Test Passed [ Info: check that the orthogonality relation is satisfied ++++++++++++++++++++++++++++++ [ Info: Testing ChebBasis (Standard Chebyshev Polynomials) [ Info: correctness +++++++++++++++++++++++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - ChebBasis(10) ++++++++++ [ Info: Testing KA implementation of ChebBasis(10) ++++++++++++++++ [ Info: Testing Real Trigonometric Polynomials (RTrigBasis) [ Info: correctness ++++++++++++++++++++++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - MonoBasis{10}() ++++++++++ [ Info: Testing KA implementation of MonoBasis{10}() ++++++++++++++++ [ Info: Testing Complex Trigonometric Polynomials (CTrigBasis) [ Info: correctness ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - CTrigBasis{10}() ++++++++++ [ Info: Testing KA implementation of CTrigBasis{10}() ++++++++++++++++ [ Info: Testing Real Trigonometric Polynomials (RTrigBasis) [ Info: correctness ++++++++++++++++++++++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing rrule(evaluate) - RTrigBasis{10}() ++++++++++ [ Info: Testing KA implementation of RTrigBasis{10}() ++++++++++++++++ [ Info: Check a few conventions of the sphericart implementation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ [ Info: Test Racah normalization ++++++++++++++++++++ [ Info: Confirm L2-orthonormalization - real Test Passed [ Info: Confirm L2-orthonormalization - complex Test Passed [ Info: Check consistency of spherical and solid ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ [ Info: Test: check derivatives of 3D harmonics [ Info: Tests for SphericalHarmonics(ℝ, maxl=10) [ Info: Testing rrule(evaluate) - SphericalHarmonics(ℝ, maxl=10) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SolidHarmonics(ℝ, maxl=11) [ Info: Testing rrule(evaluate) - SolidHarmonics(ℝ, maxl=11) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SolidHarmonics(ℝ, maxl=12) [ Info: Testing rrule(evaluate) - SolidHarmonics(ℝ, maxl=12) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SphericalHarmonics(ℂ, maxl=9) [ Info: Testing rrule(evaluate) - SphericalHarmonics(ℂ, maxl=9) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SolidHarmonics(ℂ, maxl=11) [ Info: Testing rrule(evaluate) - SolidHarmonics(ℂ, maxl=11) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing KA implementation of SolidHarmonics(ℝ, maxl=11) ++++++++++++++++ [ Info: Testing KA implementation of SolidHarmonics(ℝ, maxl=12) ++++++++++++++++ [ Info: Testing GaussianBasis [ Info: correctness of evaluation ++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed [ Info: Testing rrule(evaluate) - AtomicOrbitalsRadials(OrthPolyBasis1D3T(maxn = 5), GaussianBasis(48)) ++++++++++ nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing SlaterBasis [ Info: correctness of evaluation ++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed [ Info: Testing rrule(evaluate) - AtomicOrbitalsRadials(OrthPolyBasis1D3T(maxn = 6), SlaterBasis(45)) ++++++++++ nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing STOBasis [ Info: correctness of evaluation ++[ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed [ Info: Testing rrule(evaluate) - AtomicOrbitalsRadials(OrthPolyBasis1D3T(maxn = 5), STO_NG(20, 4)) ++++++++++ nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Testing _static_prod ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test Summary: | Pass Total Time Polynomials4ML.jl | 1574 1574 6m18.7s Testing Polynomials4ML tests passed Testing completed after 387.62s PkgEval succeeded after 434.83s