Package evaluation to test NQCModels on Julia 1.11.8 (29b3528cce*) started at 2026-01-20T09:38:06.970 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.11` Set-up completed after 7.84s ################################################################################ # Installation # Installing NQCModels... Resolving package versions... Updating `~/.julia/environments/v1.11/Project.toml` [c814dc9f] + NQCModels v1.0.2 Updating `~/.julia/environments/v1.11/Manifest.toml` [4c555306] + ArrayLayouts v1.12.2 [a963bdd2] + AtomsBase v0.5.2 [093aae92] + BSplineKit v0.19.1 [aae01518] + BandedMatrices v1.11.0 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [a8cc5b0e] + Crayons v4.1.1 [9a962f9c] + DataAPI v1.16.0 [82cc6244] + DataInterpolations v8.9.0 [e2d170a0] + DataValueInterfaces v1.0.0 [8bb1440f] + DelimitedFiles v1.9.1 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [b4f34e82] + Distances v0.10.12 [ffbed154] + DocStringExtensions v0.9.5 [4e289a0a] + EnumX v1.0.5 [352459e4] + ExtXYZ v0.2.2 [442a2c76] + FastGaussQuadrature v1.1.0 [1a297f60] + FillArrays v1.16.0 [64ca27bc] + FindFirstFunctions v1.7.0 ⌅ [f6369f11] + ForwardDiff v0.10.39 [615f187c] + IfElse v0.1.1 [92d709cd] + IrrationalConstants v0.2.6 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.1 [b964fa9f] + LaTeXStrings v1.4.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [1914dd2f] + MacroTools v0.5.16 [78c76ebc] + NQCBase v1.0.0 [c814dc9f] + NQCModels v1.0.2 [77ba4419] + NaNMath v1.1.3 [bac558e1] + OrderedCollections v1.8.1 [d96e819e] + Parameters v0.12.3 [7b2266bf] + PeriodicTable v1.2.1 ⌅ [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.5.1 [08abe8d2] + PrettyTables v3.1.2 [3cdcf5f2] + RecipesBase v1.3.4 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [431bcebd] + SciMLPublic v1.0.1 [276daf66] + SpecialFunctions v2.6.1 [aedffcd0] + Static v1.3.1 [90137ffa] + StaticArrays v1.9.16 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.8.0 [892a3eda] + StringManipulation v0.4.2 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.27.0 [a7773ee8] + UnitfulAtomic v1.0.0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [6ecdc6fc] + extxyz_jll v0.1.3+0 [cdc7adba] + libcleri_jll v0.12.1+3 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [f43a241f] + Downloads v1.6.0 [7b1f6079] + FileWatching v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.11.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.2.0 [44cfe95a] + Pkg v1.11.0 [de0858da] + Printf v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.11.0 [f489334b] + StyledStrings v1.11.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] + LibCURL_jll v8.6.0+0 [e37daf67] + LibGit2_jll v1.7.2+0 [29816b5a] + LibSSH2_jll v1.11.0+1 [c8ffd9c3] + MbedTLS_jll v2.28.6+0 [14a3606d] + MozillaCACerts_jll v2023.12.12 [4536629a] + OpenBLAS_jll v0.3.27+1 [05823500] + OpenLibm_jll v0.8.5+0 [efcefdf7] + PCRE2_jll v10.42.0+1 [bea87d4a] + SuiteSparse_jll v7.7.0+0 [83775a58] + Zlib_jll v1.2.13+1 [8e850b90] + libblastrampoline_jll v5.11.0+0 [8e850ede] + nghttp2_jll v1.59.0+0 [3f19e933] + p7zip_jll v17.4.0+2 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 5.59s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling project... 15852.1 ms ✓ ACEbase 32813.1 ms ✓ SciMLBase → SciMLBasePyCallExt 67993.0 ms ✓ SciMLBase → SciMLBasePythonCallExt 22678.2 ms ✓ DataInterpolations → DataInterpolationsOptimExt 244453.2 ms ✓ LinearSolve → LinearSolveBandedMatricesExt 15792.3 ms ✓ AlgebraicMultigrid 323213.1 ms ✓ JuLIP 7 dependencies successfully precompiled in 731 seconds. 377 already precompiled. 1 dependency had output during precompilation: ┌ SciMLBase → SciMLBasePythonCallExt │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/0UqYV/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/83z4q/CondaPkg.toml │ CondaPkg Resolving changes │ + libstdcxx │ + libstdcxx-ng │ + openssl │ + python │ CondaPkg Initialising pixi │ │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ │ init │ │ --format pixi │ └ /tmp/jl_ncvanQ/.CondaPkg │ ✔ Created /tmp/jl_ncvanQ/.CondaPkg/pixi.toml │ CondaPkg Wrote /tmp/jl_ncvanQ/.CondaPkg/pixi.toml │ │ [dependencies] │ │ openssl = ">=3, <3.6" │ │ libstdcxx = ">=3.4,<14.0" │ │ libstdcxx-ng = ">=3.4,<14.0" │ │ │ │ [dependencies.python] │ │ channel = "conda-forge" │ │ build = "*cp*" │ │ version = ">=3.10,!=3.14.0,!=3.14.1,<4" │ │ │ │ [project] │ │ name = ".CondaPkg" │ │ platforms = ["linux-64"] │ │ channels = ["conda-forge"] │ │ channel-priority = "strict" │ └ description = "automatically generated by CondaPkg.jl" │ CondaPkg Installing packages │ │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ │ install │ └ --manifest-path /tmp/jl_ncvanQ/.CondaPkg/pixi.toml │ ✔ The default environment has been installed. └ Precompilation completed after 790.34s ################################################################################ # Testing # Testing NQCModels Updating git-repo `https://github.com/JuliaMolSim/JuLIP.jl.git` Status `/tmp/jl_D4LzFH/Project.toml` [a963bdd2] AtomsBase v0.5.2 [093aae92] BSplineKit v0.19.1 [82cc6244] DataInterpolations v8.9.0 [8bb1440f] DelimitedFiles v1.9.1 [442a2c76] FastGaussQuadrature v1.1.0 [6a86dc24] FiniteDiff v2.29.0 ⌅ [f6369f11] ForwardDiff v0.10.39 [945c410c] JuLIP v0.16.0 `https://github.com/JuliaMolSim/JuLIP.jl.git#` [78c76ebc] NQCBase v1.0.0 [c814dc9f] NQCModels v1.0.2 [d96e819e] Parameters v0.12.3 [91a5bcdd] Plots v1.41.4 [438e738f] PyCall v1.96.4 [6099a3de] PythonCall v0.9.31 [3cdcf5f2] RecipesBase v1.3.4 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.1 [1bc83da4] SafeTestsets v0.1.0 [90137ffa] StaticArrays v1.9.16 [10745b16] Statistics v1.11.1 [1986cc42] Unitful v1.27.0 [a7773ee8] UnitfulAtomic v1.0.0 [b77e0a4c] InteractiveUtils v1.11.0 [37e2e46d] LinearAlgebra v1.11.0 [9a3f8284] Random v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_D4LzFH/Manifest.toml` [14bae519] ACEbase v0.4.6 [47edcb42] ADTypes v1.21.0 [7d9f7c33] Accessors v0.1.43 [79e6a3ab] Adapt v4.4.0 ⌃ [2169fc97] AlgebraicMultigrid v0.6.0 [66dad0bd] AliasTables v1.1.3 [dce04be8] ArgCheck v2.5.0 [4fba245c] ArrayInterface v7.22.0 [4c555306] ArrayLayouts v1.12.2 [a963bdd2] AtomsBase v0.5.2 [13072b0f] AxisAlgorithms v1.1.0 [093aae92] BSplineKit v0.19.1 [aae01518] BandedMatrices v1.11.0 [d1d4a3ce] BitFlags v0.1.9 [62783981] BitTwiddlingConvenienceFunctions v0.1.6 [2a0fbf3d] CPUSummary v0.2.7 [49dc2e85] Calculus v0.5.2 [d360d2e6] ChainRulesCore v1.26.0 [fb6a15b2] CloseOpenIntervals v0.1.13 [6309b1aa] CodecInflate64 v0.1.3 [944b1d66] CodecZlib v0.7.8 [35d6a980] ColorSchemes v3.31.0 [3da002f7] ColorTypes v0.12.1 [c3611d14] ColorVectorSpace v0.11.0 [5ae59095] Colors v0.13.1 [38540f10] CommonSolve v0.2.6 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.18.1 [a33af91c] CompositionsBase v0.1.2 [2569d6c7] ConcreteStructs v0.2.3 [f0e56b4a] ConcurrentUtilities v2.5.0 [8f4d0f93] Conda v1.10.3 [992eb4ea] CondaPkg v0.2.33 [187b0558] ConstructionBase v1.6.0 [d38c429a] Contour v0.6.3 [adafc99b] CpuId v0.3.1 [a8cc5b0e] Crayons v4.1.1 [9a962f9c] DataAPI v1.16.0 [124859b0] DataDeps v0.7.13 [82cc6244] DataInterpolations v8.9.0 [864edb3b] DataStructures v0.19.3 [e2d170a0] DataValueInterfaces v1.0.0 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [a0c0ee7d] DifferentiationInterface v0.7.14 [b4f34e82] Distances v0.10.12 [ffbed154] DocStringExtensions v0.9.5 [4e289a0a] EnumX v1.0.5 [460bff9d] ExceptionUnwrapping v0.1.11 [e2ba6199] ExprTools v0.1.10 [55351af7] ExproniconLite v0.10.14 [352459e4] ExtXYZ v0.2.2 [c87230d0] FFMPEG v0.4.5 [442a2c76] FastGaussQuadrature v1.1.0 [29a986be] FastLapackInterface v2.1.1 [1a297f60] FillArrays v1.16.0 [64ca27bc] FindFirstFunctions v1.7.0 [6a86dc24] FiniteDiff v2.29.0 [53c48c17] FixedPointNumbers v0.8.5 [1fa38f19] Format v1.3.7 ⌅ [f6369f11] ForwardDiff v0.10.39 [069b7b12] FunctionWrappers v1.1.3 [77dc65aa] FunctionWrappersWrappers v0.1.3 [46192b85] GPUArraysCore v0.2.0 [28b8d3ca] GR v0.73.20 [42e2da0e] Grisu v1.0.2 [cd3eb016] HTTP v1.10.19 [3e5b6fbb] HostCPUFeatures v0.1.18 [615f187c] IfElse v0.1.1 [0c81fc1b] InputBuffers v1.1.1 ⌃ [a98d9a8b] Interpolations v0.15.1 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.6 [82899510] IteratorInterfaceExtensions v1.0.0 [1019f520] JLFzf v0.1.11 [692b3bcd] JLLWrappers v1.7.1 ⌃ [682c06a0] JSON v0.21.4 [0f8b85d8] JSON3 v1.14.3 [ae98c720] Jieko v0.2.1 [945c410c] JuLIP v0.16.0 `https://github.com/JuliaMolSim/JuLIP.jl.git#master` [ef3ab10e] KLU v0.6.0 ⌅ [ba0b0d4f] Krylov v0.9.10 [b964fa9f] LaTeXStrings v1.4.0 [23fbe1c1] Latexify v0.16.10 [10f19ff3] LayoutPointers v0.1.17 [5078a376] LazyArrays v2.9.4 ⌃ [d3d80556] LineSearches v7.5.1 ⌅ [7ed4a6bd] LinearSolve v2.39.1 [2ab3a3ac] LogExpFunctions v0.3.29 [e6f89c97] LoggingExtras v1.2.0 [bdcacae8] LoopVectorization v0.12.173 [1914dd2f] MacroTools v0.5.16 [d125e4d3] ManualMemory v0.1.8 [739be429] MbedTLS v1.1.9 [442fdcdd] Measures v0.3.3 [0b3b1443] MicroMamba v0.1.14 [e1d29d7a] Missings v1.2.0 [2e0e35c7] Moshi v0.3.7 ⌅ 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and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. Testing Running tests... Test Summary: | Pass Total Time CompositeModel | 1 1 4.8s ┌ Warning: (ReferenceGaussLegendre) The division by sqrt(ΔE) in the coupling is incorrect. Use ShenviGaussLegendre instead. └ @ NQCModels.BathDiscretisations ~/.julia/packages/NQCModels/xHIXX/src/bath_discretisations/shenvi_gauss_legendre.jl:51 Test Summary: | Pass Total Time Wide band bath discretisations | 6 6 11.1s 11.130169 seconds (4.03 M allocations: 205.631 MiB, 0.65% gc time, 99.39% compilation time) Test Summary: | Pass Total Time Anderson Holstein | 4 4 8.4s 8.416776 seconds (2.55 M allocations: 129.000 MiB, 0.69% gc time, 99.78% compilation time) Precompiling ArrayInterfaceBandedMatricesExt... 3745.7 ms ✓ ArrayInterface → ArrayInterfaceBandedMatricesExt 1 dependency successfully precompiled in 4 seconds. 18 already precompiled. Precompiling FiniteDiffBandedMatricesExt... 3019.2 ms ✓ FiniteDiff → FiniteDiffBandedMatricesExt 1 dependency successfully precompiled in 3 seconds. 27 already precompiled. Test Summary: | Pass Total Time AdiabaticStateSelector | 6 6 19.0s WARNING: Method definition ndofs(Main.TestModel) in module Main at /home/pkgeval/.julia/packages/NQCModels/xHIXX/test/runtests.jl:56 overwritten at /home/pkgeval/.julia/packages/NQCModels/xHIXX/test/runtests.jl:59. Test Summary: | Pass Total Time Potential abstraction | 3 3 0.1s Precompiling Plots... 5534.2 ms ✓ Latexify 7841.7 ms ✓ RecipesPipeline 1878.5 ms ✓ Latexify → SparseArraysExt 113052.1 ms ✓ Plots 4 dependencies successfully precompiled in 134 seconds. 171 already precompiled. Precompiling UnitfulExt... 4628.6 ms ✓ Unitful → LatexifyExt 15579.1 ms ✓ Plots → UnitfulExt 2 dependencies successfully precompiled in 22 seconds. 192 already precompiled. Test Summary: | Total Time Plot | 0 3m10.8s Test Summary: | Pass Total Time DiatomicHarmonic | 3 3 8.0s Test Summary: | Pass Total Time CSVModels | 2 2 4.0s Test Summary: | Pass Total Time ClassicalModels | 6 6 10.9s ┌ Info: AndersonHolstein generated derivative size: └ size = (1, 1) ┌ Info: AndersonHolstein generated derivative size: └ size = (1, 1) ┌ Info: AndersonHolstein generated derivative size: └ size = (2, 1) ┌ Info: AndersonHolstein generated derivative size: └ size = (1, 1) Test Summary: | Pass Total Time QuantumModels | 20 20 51.8s Test Summary: | Pass Total Time FrictionModels | 2 2 6.2s Precompiling JuLIP... 4133.5 ms ✓ SciMLOperators 8223.5 ms ✓ RecursiveArrayTools 3877.8 ms ✓ Interpolations 959.4 ms ✓ StaticArrayInterface → StaticArrayInterfaceOffsetArraysExt 1402.8 ms ✓ StaticArrayInterface → StaticArrayInterfaceStaticArraysExt 3346.5 ms ✓ NeighbourLists 4682.7 ms ✓ ACEbase 5294.8 ms ✓ DataDeps 11881.7 ms ✓ VectorizationBase 3904.4 ms ✓ NLSolversBase 1064.1 ms ✓ SciMLOperators → SciMLOperatorsStaticArraysCoreExt 1496.7 ms ✓ SciMLOperators → SciMLOperatorsSparseArraysExt 1787.0 ms ✓ RecursiveArrayTools → RecursiveArrayToolsForwardDiffExt 1370.3 ms ✓ RecursiveArrayTools → RecursiveArrayToolsStatisticsExt 1986.3 ms ✓ RecursiveArrayTools → RecursiveArrayToolsSparseArraysExt 2997.2 ms ✓ Interpolations → InterpolationsUnitfulExt 2234.9 ms ✓ SLEEFPirates 2396.6 ms ✓ LineSearches 22963.5 ms ✓ SciMLBase 2836.7 ms ✓ VectorizedRNG 43337.0 ms ✓ LoopVectorization 5769.5 ms ✓ Optim 2587.9 ms ✓ SciMLBase → SciMLBaseChainRulesCoreExt 1551.1 ms ✓ VectorizedRNG → VectorizedRNGStaticArraysExt 2630.5 ms ✓ LoopVectorization → SpecialFunctionsExt 62574.4 ms ✓ LoopVectorization → ForwardDiffExt 12934.8 ms ✓ TriangularSolve 48097.0 ms ✓ RecursiveFactorization 52745.8 ms ✓ LinearSolve 7908.3 ms ✓ LinearSolve → LinearSolveRecursiveArrayToolsExt 8833.6 ms ✓ AlgebraicMultigrid 30775.4 ms ✓ JuLIP 32 dependencies successfully precompiled in 371 seconds. 203 already precompiled. Precompiling SymbolicIndexingInterfacePrettyTablesExt... 3656.2 ms ✓ SymbolicIndexingInterface → SymbolicIndexingInterfacePrettyTablesExt 1 dependency successfully precompiled in 4 seconds. 41 already precompiled. Precompiling RecursiveArrayToolsTablesExt... 1384.5 ms ✓ RecursiveArrayTools → RecursiveArrayToolsTablesExt 1 dependency successfully precompiled in 2 seconds. 36 already precompiled. Precompiling LinearSolveBandedMatricesExt... 8719.2 ms ✓ LinearSolve → LinearSolveBandedMatricesExt 1 dependency successfully precompiled in 10 seconds. 146 already precompiled. Precompiling DataInterpolationsOptimExt... 4425.8 ms ✓ DataInterpolations → DataInterpolationsOptimExt 1 dependency successfully precompiled in 5 seconds. 82 already precompiled. Test Summary: | Pass Total Time JuLIP | 1 1 7m10.6s Testing NQCModels tests passed Testing completed after 753.52s PkgEval succeeded after 1623.67s