Package evaluation to test MLThermoProperties on Julia 1.12.7-DEV.42 (6f510b6086*) started at 2026-06-20T06:52:59.810 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.12` Set-up completed after 7.29s ################################################################################ # Installation # Installing MLThermoProperties... Resolving package versions... Updating `~/.julia/environments/v1.12/Project.toml` [5b10a24f] + MLThermoProperties v0.1.2 Updating `~/.julia/environments/v1.12/Manifest.toml` [47edcb42] + ADTypes v1.22.0 [1520ce14] + AbstractTrees v0.4.5 [7d9f7c33] + Accessors v0.1.44 [79e6a3ab] + Adapt v4.6.1 [66dad0bd] + AliasTables v1.1.3 [ec485272] + ArnoldiMethod v0.4.0 [4fba245c] + ArrayInterface v7.25.0 [a9b6321e] + Atomix v1.1.3 [ab4f0b2a] + BFloat16s v0.6.1 [2a0fbf3d] + CPUSummary v0.2.7 [336ed68f] + CSV v0.10.16 [d360d2e6] + ChainRulesCore v1.26.1 [c6d5ccb6] + ChemBERTa v0.1.1 [0b6fb165] + ChunkCodecCore v1.0.1 [4c0bbee4] + ChunkCodecLibZlib v1.0.0 [55437552] + ChunkCodecLibZstd v1.0.0 [7c7805af] + Clapeyron v0.6.25 [944b1d66] + CodecZlib v0.7.8 [3da002f7] + ColorTypes v0.12.1 [5ae59095] + Colors v0.13.1 [38540f10] + CommonSolve v0.2.7 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [34da2185] + Compat v4.18.1 [a33af91c] + CompositionsBase v0.1.2 [2569d6c7] + ConcreteStructs v0.2.4 [187b0558] + ConstructionBase v1.6.0 [adafc99b] + CpuId v0.3.1 [f4c16678] + DLFP8Types v0.1.0 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.19.5 [e2d170a0] + DataValueInterfaces v1.0.0 [8bb1440f] + DelimitedFiles v1.9.1 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.16.0 [a0c0ee7d] + DifferentiationInterface v0.7.18 [8d63f2c5] + DispatchDoctor v0.4.28 [b4f34e82] + Distances v0.10.12 [31c24e10] + Distributions v0.25.127 [ffbed154] + DocStringExtensions v0.9.5 [36a13073] + EntropyScaling v0.4.1 [4e289a0a] + EnumX v1.0.7 [f151be2c] + EnzymeCore v0.8.20 [21656369] + ExpressionExplorer v1.1.4 [9aa1b823] + FastClosures v0.3.2 [5789e2e9] + FileIO v1.19.0 [48062228] + FilePathsBase v0.9.24 [1a297f60] + FillArrays v1.16.0 [6a86dc24] + FiniteDiff v2.31.0 ⌅ [53c48c17] + FixedPointNumbers v0.8.6 [f6369f11] + ForwardDiff v1.4.1 [d9f16b24] + Functors v0.5.2 [aed8fd31] + GNNGraphs v1.5.0 [a6a84749] + GNNlib v1.2.1 [46192b85] + GPUArraysCore v0.2.0 [5c1252a2] + GeometryBasics v0.5.11 [86223c79] + Graphs v1.14.0 [076d061b] + HashArrayMappedTries v0.2.0 [34004b35] + HypergeometricFunctions v0.3.28 [e48d2a1f] + IFTDuals v0.2.0 [615f187c] + IfElse v0.1.1 [d25df0c9] + Inflate v0.1.5 [842dd82b] + InlineStrings v1.4.5 [8197267c] + IntervalSets v0.7.14 [3587e190] + InverseFunctions v0.1.17 [92d709cd] + IrrationalConstants v0.2.6 [42fd0dbc] + IterativeSolvers v0.9.4 [82899510] + IteratorInterfaceExtensions v1.0.0 [033835bb] + JLD2 v0.6.4 [692b3bcd] + JLLWrappers v1.8.0 [682c06a0] + JSON v1.6.1 [0f8b85d8] + JSON3 v1.14.3 [63c18a36] + KernelAbstractions v0.9.41 ⌅ [0b1a1467] + KrylovKit v0.9.5 ⌃ [d3d80556] + LineSearches v7.5.1 ⌅ [2ab3a3ac] + LogExpFunctions v0.3.29 ⌅ [2fda8390] + LsqFit v0.15.1 [b2108857] + Lux v1.31.4 [bb33d45b] + LuxCore v1.5.3 [82251201] + LuxLib v1.15.9 [c2834f40] + MLCore v1.0.2 [7e8f7934] + MLDataDevices v1.17.10 [5b10a24f] + MLThermoProperties v0.1.2 [f1d291b0] + MLUtils v0.4.9 [1914dd2f] + MacroTools v0.5.16 [20f20a25] + MakieCore v0.10.0 [dbb5928d] + MappedArrays v0.4.3 [e1d29d7a] + Missings v1.2.0 [6c89ec66] + MolecularGraph v0.22.0 [337daf1e] + NLSolvers v0.5.0 ⌅ [d41bc354] + NLSolversBase v7.10.0 [872c559c] + NNlib v0.9.36 [77ba4419] + NaNMath v1.1.4 [b8a86587] + NearestNeighbors v0.4.27 [510215fc] + Observables v0.5.5 ⌅ [429524aa] + Optim v1.13.3 [3bd65402] + Optimisers v0.4.7 ⌅ [bac558e1] + OrderedCollections v1.8.2 [90014a1f] + PDMats v0.11.37 [65ce6f38] + PackageExtensionCompat v1.0.2 [7713531c] + PackedVectorsOfVectors v0.1.2 [69de0a69] + Parsers v2.8.6 [2dfb63ee] + PooledArrays v1.4.3 [85a6dd25] + PositiveFactorizations v0.2.4 [aea7be01] + PrecompileTools v1.3.4 [21216c6a] + Preferences v1.5.2 [92933f4c] + ProgressMeter v1.11.0 [43287f4e] + PtrArrays v1.4.0 [1fd47b50] + QuadGK v2.11.3 [a3311ec8] + ReactantCore v0.1.20 [3cdcf5f2] + RecipesBase v1.3.4 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [79098fc4] + Rmath v0.9.0 [f2b01f46] + Roots v3.0.0 [eeda0dda] + SafeTensors v1.2.1 [431bcebd] + SciMLPublic v1.0.1 [7e506255] + ScopedValues v1.6.2 [6c6a2e73] + Scratch v1.3.0 [91c51154] + SentinelArrays v1.4.10 [efcf1570] + Setfield v1.1.2 [605ecd9f] + ShowCases v0.1.0 [699a6c99] + SimpleTraits v0.9.6 [a2af1166] + SortingAlgorithms v1.2.2 [276daf66] + SpecialFunctions v2.8.0 [91464d47] + StableTasks v0.1.7 [aedffcd0] + Static v1.4.0 [90137ffa] + StaticArrays v1.9.18 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.8.0 [2913bbd2] + StatsBase v0.34.12 [4c63d2b9] + StatsFuns v2.2.0 [69024149] + StringEncodings v0.3.7 [856f2bd8] + StructTypes v1.11.0 [ec057cc2] + StructUtils v2.8.2 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [3bb67fe8] + TranscodingStreams v0.11.3 [013be700] + UnsafeAtomics v0.3.1 ⌅ [409d34a3] + VectorInterface v0.5.0 [ea10d353] + WeakRefStrings v1.4.3 [d49dbf32] + WeightInitializers v1.3.4 [76eceee3] + WorkerUtilities v1.6.1 [ddb6d928] + YAML v0.4.16 [5ae413db] + EarCut_jll v2.2.4+0 [94ce4f54] + Libiconv_jll v1.18.0+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [f50d1b31] + Rmath_jll v0.5.1+0 [3161d3a3] + Zstd_jll v1.5.7+1 [f6050b86] + coordgenlibs_jll v3.0.2+0 [172afb32] + libinchi_jll v1.6.0+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.12.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.12.1 [de0858da] + Printf 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 v1.12.0 [f489334b] + StyledStrings v1.11.0 [4607b0f0] + SuiteSparse [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.15.0+0 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.11.4 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.6+0 [bea87d4a] + SuiteSparse_jll v7.8.3+2 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.64.0+1 [3f19e933] + p7zip_jll v17.7.0+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m` Installation completed after 6.75s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling packages... 18030.6 ms ✓ MolecularGraph → RDKitExt 18040.1 ms ✓ LsqFit 53995.4 ms ✓ Clapeyron → ClapeyronPythonCallExt 14305.5 ms ✓ ChemBERTa 79086.8 ms ✓ EntropyScaling 9678.7 ms ✓ ChemBERTa → RDKitMinimalLibExt 27359.5 ms ✓ ChemBERTa → PythonCallExt 745303.0 ms ✓ MLThermoProperties 8 dependencies successfully precompiled in 984 seconds. 285 already precompiled. 24 dependencies precompiled but different versions are currently loaded (ArgTools, Base64, Dates, Downloads, JuliaSyntaxHighlighting, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, Logging, Markdown, MozillaCACerts_jll, NetworkOptions, OpenSSL_jll, Pkg, Printf, StyledStrings, TOML, Tar, UUIDs, Zlib_jll, nghttp2_jll and p7zip_jll). Restart julia to access the new versions. Otherwise, 164 dependents of these packages may trigger further precompilation to work with the unexpected versions. 1 dependency had output during precompilation: ┌ Clapeyron → ClapeyronPythonCallExt │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/lKlVY/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/5WGSP/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/ChemBERTa/gk9yZ/CondaPkg.toml │ CondaPkg Resolving changes │ + libstdcxx │ + libstdcxx-ng │ + openssl │ + python │ + rdkit (pip) │ + uv │ CondaPkg Initialising pixi │ │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ │ init │ │ --format pixi │ └ /tmp/jl_bEQ0YF/.CondaPkg │ ✔ Created /tmp/jl_bEQ0YF/.CondaPkg/pixi.toml │ CondaPkg Wrote /tmp/jl_bEQ0YF/.CondaPkg/pixi.toml │ │ [dependencies] │ │ openssl = ">=3, <3.6" │ │ libstdcxx = ">=3.4,<15.0" │ │ uv = ">=0.4" │ │ libstdcxx-ng = ">=3.4,<15.0" │ │ │ │ [dependencies.python] │ │ channel = "conda-forge" │ │ build = "*cp*" │ │ version = ">=3.10,!=3.14.0,!=3.14.1,<4, <=3.13,>=3.9,<4" │ │ │ │ [workspace] │ │ name = ".CondaPkg" │ │ platforms = ["linux-64"] │ │ channels = ["conda-forge"] │ │ channel-priority = "strict" │ │ description = "automatically generated by CondaPkg.jl" │ │ │ │ [pypi-dependencies] │ └ rdkit = "~= 2024.09.4" │ CondaPkg Installing packages │ │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ │ install │ └ --manifest-path /tmp/jl_bEQ0YF/.CondaPkg/pixi.toml │ ✔ The default environment has been installed. └ Precompilation completed after 988.41s ################################################################################ # Testing # Testing MLThermoProperties Status `/tmp/jl_OtwCR8/Project.toml` [c6d5ccb6] ChemBERTa v0.1.1 [7c7805af] Clapeyron v0.6.25 [8bb1440f] DelimitedFiles v1.9.1 [36a13073] EntropyScaling v0.4.1 [033835bb] JLD2 v0.6.4 [5b10a24f] MLThermoProperties v0.1.2 [6099a3de] PythonCall v0.9.35 [44044271] RDKitMinimalLib v1.2.1 [f8b46487] TestItemRunner v1.1.5 [8dfed614] Test v1.11.0 Status `/tmp/jl_OtwCR8/Manifest.toml` [47edcb42] ADTypes v1.22.0 [1520ce14] AbstractTrees v0.4.5 [7d9f7c33] Accessors v0.1.44 [79e6a3ab] Adapt v4.6.1 [66dad0bd] AliasTables v1.1.3 [ec485272] ArnoldiMethod v0.4.0 [4fba245c] ArrayInterface v7.25.0 [a9b6321e] Atomix v1.1.3 [ab4f0b2a] BFloat16s v0.6.1 [2a0fbf3d] CPUSummary v0.2.7 [336ed68f] CSV v0.10.16 [d360d2e6] ChainRulesCore v1.26.1 [c6d5ccb6] ChemBERTa v0.1.1 [0b6fb165] ChunkCodecCore v1.0.1 [4c0bbee4] ChunkCodecLibZlib v1.0.0 [55437552] ChunkCodecLibZstd v1.0.0 [7c7805af] Clapeyron v0.6.25 [944b1d66] CodecZlib v0.7.8 [3da002f7] ColorTypes v0.12.1 [5ae59095] Colors v0.13.1 [38540f10] CommonSolve v0.2.7 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.18.1 [a33af91c] CompositionsBase v0.1.2 [2569d6c7] ConcreteStructs v0.2.4 [992eb4ea] CondaPkg v0.2.36 [187b0558] ConstructionBase v1.6.0 [adafc99b] CpuId v0.3.1 [f4c16678] DLFP8Types v0.1.0 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.19.5 [e2d170a0] DataValueInterfaces v1.0.0 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.16.0 [a0c0ee7d] DifferentiationInterface v0.7.18 [8d63f2c5] DispatchDoctor v0.4.28 [b4f34e82] Distances v0.10.12 [31c24e10] Distributions v0.25.127 [ffbed154] DocStringExtensions v0.9.5 [36a13073] EntropyScaling v0.4.1 [4e289a0a] EnumX v1.0.7 [f151be2c] EnzymeCore v0.8.20 [21656369] ExpressionExplorer v1.1.4 [9aa1b823] FastClosures v0.3.2 [5789e2e9] FileIO v1.19.0 [48062228] FilePathsBase v0.9.24 [1a297f60] FillArrays v1.16.0 [6a86dc24] FiniteDiff v2.31.0 ⌅ [53c48c17] FixedPointNumbers v0.8.6 [f6369f11] ForwardDiff v1.4.1 [d9f16b24] Functors v0.5.2 [aed8fd31] GNNGraphs v1.5.0 [a6a84749] GNNlib v1.2.1 [46192b85] GPUArraysCore v0.2.0 [5c1252a2] GeometryBasics v0.5.11 [86223c79] Graphs v1.14.0 [076d061b] HashArrayMappedTries v0.2.0 [34004b35] HypergeometricFunctions v0.3.28 [e48d2a1f] IFTDuals v0.2.0 [615f187c] IfElse v0.1.1 [d25df0c9] Inflate v0.1.5 [842dd82b] InlineStrings v1.4.5 [8197267c] IntervalSets v0.7.14 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.6 [42fd0dbc] IterativeSolvers v0.9.4 [82899510] IteratorInterfaceExtensions v1.0.0 [033835bb] JLD2 v0.6.4 [692b3bcd] JLLWrappers v1.8.0 [682c06a0] JSON v1.6.1 [0f8b85d8] JSON3 v1.14.3 [63c18a36] KernelAbstractions v0.9.41 ⌅ [0b1a1467] KrylovKit v0.9.5 ⌃ [d3d80556] LineSearches v7.5.1 ⌅ [2ab3a3ac] LogExpFunctions v0.3.29 ⌅ [2fda8390] LsqFit v0.15.1 [b2108857] Lux v1.31.4 [bb33d45b] LuxCore v1.5.3 [82251201] LuxLib v1.15.9 [c2834f40] MLCore v1.0.2 [7e8f7934] MLDataDevices v1.17.10 [5b10a24f] MLThermoProperties v0.1.2 [f1d291b0] MLUtils v0.4.9 [1914dd2f] MacroTools v0.5.16 [20f20a25] MakieCore v0.10.0 [dbb5928d] MappedArrays v0.4.3 [0b3b1443] MicroMamba v0.1.15 [e1d29d7a] Missings v1.2.0 [6c89ec66] MolecularGraph v0.22.0 [337daf1e] NLSolvers v0.5.0 ⌅ [d41bc354] NLSolversBase v7.10.0 [872c559c] NNlib v0.9.36 [77ba4419] NaNMath v1.1.4 [b8a86587] NearestNeighbors v0.4.27 [510215fc] Observables v0.5.5 ⌅ [429524aa] Optim v1.13.3 [3bd65402] Optimisers v0.4.7 ⌅ [bac558e1] OrderedCollections v1.8.2 [90014a1f] PDMats v0.11.37 [65ce6f38] PackageExtensionCompat v1.0.2 [7713531c] PackedVectorsOfVectors v0.1.2 [69de0a69] Parsers v2.8.6 [fa939f87] Pidfile v1.3.0 [2dfb63ee] PooledArrays v1.4.3 [85a6dd25] PositiveFactorizations v0.2.4 [aea7be01] PrecompileTools v1.3.4 [21216c6a] Preferences v1.5.2 [92933f4c] ProgressMeter v1.11.0 [43287f4e] PtrArrays v1.4.0 [6099a3de] PythonCall v0.9.35 [1fd47b50] QuadGK v2.11.3 [44044271] RDKitMinimalLib v1.2.1 [a3311ec8] ReactantCore v0.1.20 [3cdcf5f2] RecipesBase v1.3.4 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.1 [79098fc4] Rmath v0.9.0 [f2b01f46] Roots v3.0.0 [eeda0dda] SafeTensors v1.2.1 [431bcebd] SciMLPublic v1.0.1 [7e506255] ScopedValues v1.6.2 [6c6a2e73] Scratch v1.3.0 [91c51154] SentinelArrays v1.4.10 [efcf1570] Setfield v1.1.2 [605ecd9f] ShowCases v0.1.0 [699a6c99] SimpleTraits v0.9.6 [a2af1166] SortingAlgorithms v1.2.2 [276daf66] SpecialFunctions v2.8.0 [91464d47] StableTasks v0.1.7 [aedffcd0] Static v1.4.0 [90137ffa] StaticArrays v1.9.18 [1e83bf80] StaticArraysCore v1.4.4 [10745b16] Statistics v1.11.1 [82ae8749] StatsAPI v1.8.0 [2913bbd2] StatsBase v0.34.12 [4c63d2b9] StatsFuns v2.2.0 [69024149] StringEncodings v0.3.7 [856f2bd8] StructTypes v1.11.0 [ec057cc2] StructUtils v2.8.2 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [f8b46487] TestItemRunner v1.1.5 [1c621080] TestItems v1.0.0 [3bb67fe8] TranscodingStreams v0.11.3 [013be700] UnsafeAtomics v0.3.1 [e17b2a0c] UnsafePointers v1.0.0 ⌅ [409d34a3] VectorInterface v0.5.0 [ea10d353] WeakRefStrings v1.4.3 [d49dbf32] WeightInitializers v1.3.4 [76eceee3] WorkerUtilities v1.6.1 [ddb6d928] YAML v0.4.16 [6e34b625] Bzip2_jll v1.0.9+0 [5ae413db] EarCut_jll v2.2.4+0 [d7e528f0] FreeType2_jll v2.14.3+1 [94ce4f54] Libiconv_jll v1.18.0+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 ⌅ [03d1d220] RDKit_jll v2022.9.5+0 [f50d1b31] Rmath_jll v0.5.1+0 [3161d3a3] Zstd_jll v1.5.7+1 ⌅ [28df3c45] boost_jll v1.76.0+1 [f6050b86] coordgenlibs_jll v3.0.2+0 [172afb32] libinchi_jll v1.6.0+0 [f8abcde7] micromamba_jll v2.3.1+0 [4d7b5844] pixi_jll v0.63.2+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [f43a241f] Downloads v1.7.0 [7b1f6079] FileWatching v1.11.0 [9fa8497b] Future v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.12.0 [4af54fe1] LazyArtifacts v1.11.0 [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.12.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.12.1 [de0858da] Printf 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 v1.12.0 [f489334b] StyledStrings v1.11.0 [4607b0f0] SuiteSparse [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] LibCURL_jll v8.15.0+0 [e37daf67] LibGit2_jll v1.9.0+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.11.4 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.7+0 [458c3c95] OpenSSL_jll v3.5.6+0 [bea87d4a] SuiteSparse_jll v7.8.3+2 [83775a58] Zlib_jll v1.3.1+2 [8e850b90] libblastrampoline_jll v5.15.0+0 [8e850ede] nghttp2_jll v1.64.0+1 [3f19e933] p7zip_jll v17.7.0+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. Testing Running tests... Precompiling packages... 10650.9 ms ✓ Distributions → DistributionsTestExt 1 dependency successfully precompiled in 15 seconds. 48 already precompiled. 48 dependencies precompiled but different versions are currently loaded (AliasTables, Base64, CompilerSupportLibraries_jll, DataAPI, DataStructures, Dates, Distributions, DocStringExtensions, FillArrays, FillArrays → FillArraysPDMatsExt, FillArrays → FillArraysSparseArraysExt, FillArrays → FillArraysStatisticsExt, HypergeometricFunctions, InteractiveUtils, IrrationalConstants, JLLWrappers, JuliaSyntaxHighlighting, LogExpFunctions, Logging, Markdown, Missings, OpenLibm_jll, OpenSpecFun_jll, OrderedCollections, PDMats, PDMats → StatsBaseExt, Preferences, Printf, PtrArrays, QuadGK, Reexport, Rmath, Rmath_jll, Serialization, SortingAlgorithms, SparseArrays, SpecialFunctions, Statistics, Statistics → SparseArraysExt, StatsAPI, StatsBase, StatsFuns, StyledStrings, SuiteSparse, SuiteSparse_jll, TOML, Test and Unicode). Restart julia to access the new versions. Otherwise, 1 dependent of these packages may trigger further precompilation to work with the unexpected versions. Precompiling packages... 35314.1 ms ✓ PythonCall 1 dependency successfully precompiled in 36 seconds. 51 already precompiled. 44 dependencies precompiled but different versions are currently loaded (ArgTools, Base64, CompilerSupportLibraries_jll, DataAPI, DataValueInterfaces, Dates, Downloads, InteractiveUtils, IteratorInterfaceExtensions, JLLWrappers, JSON, JuliaSyntaxHighlighting, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, Logging, MacroTools, Markdown, MozillaCACerts_jll, NetworkOptions, OpenSSL_jll, OrderedCollections, Parsers, Pkg, PrecompileTools, Preferences, Printf, Scratch, Serialization, StructUtils, StructUtils → StructUtilsTablesExt, StyledStrings, TOML, TableTraits, Tables, Tar, Test, UUIDs, Unicode, Zlib_jll, nghttp2_jll and p7zip_jll). Restart julia to access the new versions. Otherwise, 7 dependents of these packages may trigger further precompilation to work with the unexpected versions. CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/lKlVY/CondaPkg.toml CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/5WGSP/CondaPkg.toml CondaPkg Found dependencies: /home/pkgeval/.julia/packages/ChemBERTa/gk9yZ/CondaPkg.toml CondaPkg Resolving changes + libstdcxx + libstdcxx-ng + openssl + python + rdkit (pip) + uv CondaPkg Initialising pixi │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ init │ --format pixi └ /tmp/jl_OtwCR8/.CondaPkg ✔ Created /tmp/jl_OtwCR8/.CondaPkg/pixi.toml CondaPkg Wrote /tmp/jl_OtwCR8/.CondaPkg/pixi.toml │ [dependencies] │ openssl = ">=3, <3.6" │ libstdcxx = ">=3.4,<15.0" │ uv = ">=0.4" │ libstdcxx-ng = ">=3.4,<15.0" │ │ [dependencies.python] │ channel = "conda-forge" │ build = "*cp*" │ version = ">=3.10,!=3.14.0,!=3.14.1,<4, <=3.13,>=3.9,<4" │ │ [workspace] │ name = ".CondaPkg" │ platforms = ["linux-64"] │ channels = ["conda-forge"] │ channel-priority = "strict" │ description = "automatically generated by CondaPkg.jl" │ │ [pypi-dependencies] └ rdkit = "~= 2024.09.4" CondaPkg Installing packages │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ install └ --manifest-path /tmp/jl_OtwCR8/.CondaPkg/pixi.toml ✔ The default environment has been installed. Precompiling packages... 22388.4 ms ✓ Clapeyron → ClapeyronPythonCallExt 1 dependency successfully precompiled in 24 seconds. 123 already precompiled. 121 dependencies precompiled but different versions are currently loaded (ADTypes, ADTypes → ADTypesConstructionBaseExt, Accessors, Accessors → LinearAlgebraExt, Accessors → StaticArraysExt, Accessors → TestExt, ArgTools, Base64, CSV, Clapeyron, CodecZlib, CommonSolve, CommonSubexpressions, Compat, Compat → CompatLinearAlgebraExt, CompilerSupportLibraries_jll, CompositionsBase, CompositionsBase → CompositionsBaseInverseFunctionsExt, CondaPkg, ConstructionBase, ConstructionBase → ConstructionBaseLinearAlgebraExt, ConstructionBase → ConstructionBaseStaticArraysExt, DataAPI, DataValueInterfaces, Dates, DiffResults, DiffRules, DifferentiationInterface, DifferentiationInterface → DifferentiationInterfaceForwardDiffExt, DifferentiationInterface → DifferentiationInterfaceSparseArraysExt, DifferentiationInterface → DifferentiationInterfaceStaticArraysExt, DocStringExtensions, Downloads, FilePathsBase, FilePathsBase → FilePathsBaseMmapExt, FilePathsBase → FilePathsBaseTestExt, FillArrays, FillArrays → FillArraysSparseArraysExt, FillArrays → FillArraysStaticArraysExt, FillArrays → FillArraysStatisticsExt, ForwardDiff, ForwardDiff → ForwardDiffStaticArraysExt, Future, IFTDuals, IFTDuals → IFTDualsStaticArraysExt, InlineStrings, InlineStrings → ParsersExt, InteractiveUtils, InverseFunctions, InverseFunctions → InverseFunctionsDatesExt, InverseFunctions → InverseFunctionsTestExt, IrrationalConstants, IteratorInterfaceExtensions, JLLWrappers, JSON, JuliaSyntaxHighlighting, LazyArtifacts, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, LogExpFunctions, LogExpFunctions → LogExpFunctionsInverseFunctionsExt, Logging, MacroTools, Markdown, MicroMamba, Mmap, MozillaCACerts_jll, NLSolvers, NaNMath, NetworkOptions, OpenLibm_jll, OpenSSL_jll, OpenSpecFun_jll, OrderedCollections, PackedVectorsOfVectors, Parsers, Pidfile, Pkg, PooledArrays, PositiveFactorizations, PrecompileTools, Preferences, Printf, PythonCall, Roots, Roots → RootsForwardDiffExt, Scratch, SentinelArrays, Serialization, SparseArrays, SpecialFunctions, StableTasks, StaticArrays, StaticArrays → StaticArraysStatisticsExt, StaticArraysCore, Statistics, Statistics → SparseArraysExt, StructUtils, StructUtils → StructUtilsStaticArraysCoreExt, StructUtils → StructUtilsTablesExt, StyledStrings, SuiteSparse_jll, TOML, TableTraits, Tables, Tar, Test, TranscodingStreams, UUIDs, Unicode, UnsafePointers, WeakRefStrings, WorkerUtilities, Zlib_jll, micromamba_jll, nghttp2_jll, p7zip_jll and pixi_jll). Restart julia to access the new versions. Otherwise, 3 dependents of these packages may trigger further precompilation to work with the unexpected versions. Precompiling packages... 21638.4 ms ✓ ChemBERTa → PythonCallExt 1 dependency successfully precompiled in 23 seconds. 148 already precompiled. 147 dependencies precompiled but different versions are currently loaded (ADTypes, ADTypes → ADTypesChainRulesCoreExt, ADTypes → ADTypesConstructionBaseExt, ADTypes → ADTypesEnzymeCoreExt, Adapt, Adapt → AdaptStaticArraysExt, ArgTools, ArrayInterface, ArrayInterface → ArrayInterfaceChainRulesCoreExt, ArrayInterface → ArrayInterfaceGPUArraysCoreExt, ArrayInterface → ArrayInterfaceStaticArraysCoreExt, Atomix, BFloat16s, Base64, CPUSummary, ChainRulesCore, ChemBERTa, CommonSubexpressions, CommonWorldInvalidations, Compat, Compat → CompatLinearAlgebraExt, CompilerSupportLibraries_jll, ConcreteStructs, CondaPkg, ConstructionBase, ConstructionBase → ConstructionBaseLinearAlgebraExt, ConstructionBase → ConstructionBaseStaticArraysExt, CpuId, DLFP8Types, DataAPI, DataStructures, DataValueInterfaces, Dates, DiffResults, DiffRules, DispatchDoctor, DispatchDoctor → DispatchDoctorChainRulesCoreExt, DispatchDoctor → DispatchDoctorEnzymeCoreExt, Distributed, DocStringExtensions, Downloads, EnzymeCore, EnzymeCore → AdaptExt, EnzymeCore → EnzymeCoreChainRulesCoreExt, ExpressionExplorer, FastClosures, ForwardDiff, ForwardDiff → ForwardDiffStaticArraysExt, Functors, Future, GPUArraysCore, IfElse, InteractiveUtils, IrrationalConstants, IteratorInterfaceExtensions, JLLWrappers, JSON, JSON3, JuliaSyntaxHighlighting, KernelAbstractions, KernelAbstractions → EnzymeExt, KernelAbstractions → LinearAlgebraExt, LazyArtifacts, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, LogExpFunctions, LogExpFunctions → LogExpFunctionsChainRulesCoreExt, Logging, Lux, LuxCore, LuxCore → ChainRulesCoreExt, LuxCore → EnzymeCoreExt, LuxCore → FunctorsExt, LuxCore → MLDataDevicesExt, LuxCore → SetfieldExt, LuxLib, LuxLib → ForwardDiffExt, MLDataDevices, MLDataDevices → ChainRulesCoreExt, MacroTools, MappedArrays, Markdown, MicroMamba, Mmap, MozillaCACerts_jll, NNlib, NNlib → NNlibEnzymeCoreExt, NNlib → NNlibForwardDiffExt, NNlib → NNlibSpecialFunctionsExt, NaNMath, NetworkOptions, OpenLibm_jll, OpenSSL_jll, OpenSpecFun_jll, Optimisers, Optimisers → OptimisersAdaptExt, Optimisers → OptimisersEnzymeCoreExt, OrderedCollections, Parsers, Pidfile, Pkg, PrecompileTools, Preferences, Printf, ProgressMeter, PythonCall, ReactantCore, Reexport, Requires, SafeTensors, SciMLPublic, ScopedValues, Scratch, Serialization, Setfield, SpecialFunctions, SpecialFunctions → SpecialFunctionsChainRulesCoreExt, Static, StaticArrays, StaticArrays → StaticArraysChainRulesCoreExt, StaticArrays → StaticArraysStatisticsExt, StaticArraysCore, Statistics, StructTypes, StructUtils, StructUtils → StructUtilsStaticArraysCoreExt, StructUtils → StructUtilsTablesExt, StyledStrings, TOML, TableTraits, Tables, Tar, Test, UUIDs, Unicode, UnsafeAtomics, UnsafePointers, WeightInitializers, WeightInitializers → ChainRulesCoreExt, Zlib_jll, micromamba_jll, nghttp2_jll, p7zip_jll and pixi_jll). Restart julia to access the new versions. Otherwise, 1 dependent of these packages may trigger further precompilation to work with the unexpected versions. Precompiling packages... 6358.5 ms ✓ ChemBERTa → RDKitMinimalLibExt 1 dependency successfully precompiled in 8 seconds. 137 already precompiled. 136 dependencies precompiled but different versions are currently loaded (ADTypes, ADTypes → ADTypesChainRulesCoreExt, ADTypes → ADTypesConstructionBaseExt, ADTypes → ADTypesEnzymeCoreExt, Adapt, Adapt → AdaptStaticArraysExt, ArgTools, ArrayInterface, ArrayInterface → ArrayInterfaceChainRulesCoreExt, ArrayInterface → ArrayInterfaceGPUArraysCoreExt, ArrayInterface → ArrayInterfaceStaticArraysCoreExt, Atomix, BFloat16s, Base64, Bzip2_jll, CPUSummary, ChainRulesCore, ChemBERTa, CommonSubexpressions, CommonWorldInvalidations, Compat, Compat → CompatLinearAlgebraExt, CompilerSupportLibraries_jll, ConcreteStructs, ConstructionBase, ConstructionBase → ConstructionBaseLinearAlgebraExt, ConstructionBase → ConstructionBaseStaticArraysExt, CpuId, DLFP8Types, DataStructures, Dates, DiffResults, DiffRules, DispatchDoctor, DispatchDoctor → DispatchDoctorChainRulesCoreExt, DispatchDoctor → DispatchDoctorEnzymeCoreExt, Distributed, DocStringExtensions, Downloads, EnzymeCore, EnzymeCore → AdaptExt, EnzymeCore → EnzymeCoreChainRulesCoreExt, ExpressionExplorer, FastClosures, ForwardDiff, ForwardDiff → ForwardDiffStaticArraysExt, FreeType2_jll, Functors, Future, GPUArraysCore, IfElse, InteractiveUtils, IrrationalConstants, JLLWrappers, JSON, JSON3, JuliaSyntaxHighlighting, KernelAbstractions, KernelAbstractions → EnzymeExt, KernelAbstractions → LinearAlgebraExt, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, LogExpFunctions, LogExpFunctions → LogExpFunctionsChainRulesCoreExt, Logging, Lux, LuxCore, LuxCore → ChainRulesCoreExt, LuxCore → EnzymeCoreExt, LuxCore → FunctorsExt, LuxCore → MLDataDevicesExt, LuxCore → SetfieldExt, LuxLib, LuxLib → ForwardDiffExt, MLDataDevices, MLDataDevices → ChainRulesCoreExt, MacroTools, MappedArrays, Markdown, Mmap, MozillaCACerts_jll, NNlib, NNlib → NNlibEnzymeCoreExt, NNlib → NNlibForwardDiffExt, NNlib → NNlibSpecialFunctionsExt, NaNMath, NetworkOptions, OpenLibm_jll, OpenSSL_jll, OpenSpecFun_jll, Optimisers, Optimisers → OptimisersAdaptExt, Optimisers → OptimisersEnzymeCoreExt, OrderedCollections, Parsers, Pkg, PrecompileTools, Preferences, Printf, ProgressMeter, RDKitMinimalLib, RDKit_jll, ReactantCore, Reexport, Requires, SafeTensors, SciMLPublic, ScopedValues, Serialization, Setfield, SpecialFunctions, SpecialFunctions → SpecialFunctionsChainRulesCoreExt, Static, StaticArrays, StaticArrays → StaticArraysChainRulesCoreExt, StaticArrays → StaticArraysStatisticsExt, StaticArraysCore, Statistics, StructTypes, StructUtils, StructUtils → StructUtilsStaticArraysCoreExt, StyledStrings, TOML, Tar, UUIDs, Unicode, UnsafeAtomics, WeightInitializers, WeightInitializers → ChainRulesCoreExt, Zlib_jll, boost_jll, nghttp2_jll and p7zip_jll). Restart julia to access the new versions. Otherwise, 1 dependent of these packages may trigger further precompilation to work with the unexpected versions. Precompiling packages... 11193.8 ms ✓ MolecularGraph → RDKitExt 1 dependency successfully precompiled in 14 seconds. 75 already precompiled. 75 dependencies precompiled but different versions are currently loaded (ArgTools, ArnoldiMethod, Base64, Bzip2_jll, ColorTypes, ColorTypes → StyledStringsExt, Colors, CompilerSupportLibraries_jll, DataStructures, Dates, DelimitedFiles, Downloads, EarCut_jll, FixedPointNumbers, FreeType2_jll, GeometryBasics, GeometryBasics → IntervalSetsExt, Graphs, Inflate, InteractiveUtils, IntervalSets, IntervalSets → IntervalSetsRandomExt, IntervalSets → IntervalSetsStatisticsExt, JLLWrappers, JSON, JuliaSyntaxHighlighting, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, Libiconv_jll, Logging, MacroTools, MakieCore, Markdown, Mmap, MolecularGraph, MozillaCACerts_jll, NetworkOptions, Observables, OpenSSL_jll, OrderedCollections, Parsers, Pkg, PrecompileTools, Preferences, Printf, RDKitMinimalLib, RDKit_jll, Reexport, Serialization, SimpleTraits, SparseArrays, StaticArrays, StaticArrays → StaticArraysStatisticsExt, StaticArraysCore, Statistics, Statistics → SparseArraysExt, StringEncodings, StructUtils, StructUtils → StructUtilsStaticArraysCoreExt, StyledStrings, SuiteSparse_jll, TOML, Tar, UUIDs, Unicode, YAML, Zlib_jll, boost_jll, coordgenlibs_jll, libinchi_jll, nghttp2_jll and p7zip_jll). Restart julia to access the new versions. Otherwise, 1 dependent of these packages may trigger further precompilation to work with the unexpected versions. [ Info: Uses `_canonicalize` from `RDKitMinimalLibExt`! ┌ Warning: Mixed-Precision `matmul_cpu_fallback!` detected and Octavian.jl cannot be used for this set of inputs (C [Matrix{Float64}]: A [Matrix{Float32}] x B [Matrix{Float64}]). Falling back to generic implementation. This may be slow. └ @ LuxLib.Impl ~/.julia/packages/LuxLib/zPBrt/src/impl/matmul.jl:194 Test Summary: | Pass Total Time Package | 71 71 24m48.6s Testing MLThermoProperties tests passed Testing completed after 1546.26s PkgEval succeeded after 2580.74s