Package evaluation of MolecularGaussians on Julia 1.13.0-DEV.449 (8d6b63c3a6*) started at 2025-04-29T07:44:42.278 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 7.43s ################################################################################ # Installation # Installing MolecularGaussians... Resolving package versions... Updating `~/.julia/environments/v1.13/Project.toml` [be997a16] + MolecularGaussians v0.3.3 Updating `~/.julia/environments/v1.13/Manifest.toml` [47edcb42] + ADTypes v1.14.0 [79e6a3ab] + Adapt v4.3.0 [66dad0bd] + AliasTables v1.1.3 [ec485272] + ArnoldiMethod v0.4.0 [4fba245c] + ArrayInterface v7.18.0 [159f3aea] + Cairo v1.1.1 ⌅ [3da002f7] + ColorTypes v0.11.5 ⌅ [5ae59095] + Colors v0.12.11 [bbf7d656] + CommonSubexpressions v0.3.1 [34da2185] + Compat v4.16.0 [187b0558] + ConstructionBase v1.5.8 [150eb455] + CoordinateTransformations v0.6.4 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.18.22 [e2d170a0] + DataValueInterfaces v1.0.0 [8bb1440f] + DelimitedFiles v1.9.1 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [a0c0ee7d] + DifferentiationInterface v0.6.52 [b4f34e82] + Distances v0.10.12 [ffbed154] + DocStringExtensions v0.9.4 [497a8b3b] + DoubleFloats v1.4.3 [4e289a0a] + EnumX v1.0.5 [411431e0] + Extents v0.1.5 [1a297f60] + FillArrays v1.13.0 [6a86dc24] + FiniteDiff v2.27.0 [53c48c17] + FixedPointNumbers v0.8.5 [f6369f11] + ForwardDiff v1.0.1 ⌅ [f2431ed1] + GaussianMixtureAlignment v0.2.2 [14197337] + GenericLinearAlgebra v0.3.17 [68eda718] + GeoFormatTypes v0.4.4 [cf35fbd7] + GeoInterface v1.4.1 ⌅ [5c1252a2] + GeometryBasics v0.4.11 [a2bd30eb] + Graphics v1.1.3 [86223c79] + Graphs v1.12.1 [e91730f6] + Hungarian v0.7.0 [d25df0c9] + Inflate v0.1.5 [92d709cd] + IrrationalConstants v0.2.4 [c8e1da08] + IterTools v1.10.0 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [d3d80556] + LineSearches v7.3.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [1914dd2f] + MacroTools v0.5.16 ⌅ [20f20a25] + MakieCore v0.7.3 [e1d29d7a] + Missings v1.2.0 [be997a16] + MolecularGaussians v0.3.3 ⌅ [6c89ec66] + MolecularGraph v0.16.1 [948c7aac] + MutableConvexHulls v0.2.6 [d41bc354] + NLSolversBase v7.9.1 [77ba4419] + NaNMath v1.1.3 [b8a86587] + NearestNeighbors v0.4.21 [510215fc] + Observables v0.5.5 [429524aa] + Optim v1.12.0 [bac558e1] + OrderedCollections v1.8.0 [7a42b37b] + PairedLinkedLists v0.2.3 [d96e819e] + Parameters v0.12.3 [69de0a69] + Parsers v2.8.3 [f27b6e38] + Polynomials v4.0.19 [85a6dd25] + PositiveFactorizations v0.2.4 [aea7be01] + PrecompileTools v1.3.2 [21216c6a] + Preferences v1.4.3 [43287f4e] + PtrArrays v1.3.0 [be4d8f0f] + Quadmath v0.5.11 [94ee1d12] + Quaternions v0.7.6 [c1ae055f] + RealDot v0.1.0 [3cdcf5f2] + RecipesBase v1.3.4 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [6038ab10] + Rotations v1.7.1 [efcf1570] + Setfield v1.1.2 [699a6c99] + SimpleTraits v0.9.4 [a2af1166] + SortingAlgorithms v1.2.1 [276daf66] + SpecialFunctions v2.5.1 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.0 [2913bbd2] + StatsBase v0.34.4 [69024149] + StringEncodings v0.3.7 ⌅ [09ab397b] + StructArrays v0.6.21 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.0 [3a884ed6] + UnPack v1.0.2 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[c5fb5394] + Xorg_xtrans_jll v1.6.0+0 [f6050b86] + coordgenlibs_jll v3.0.2+0 [172afb32] + libinchi_jll v1.6.0+0 [b53b4c65] + libpng_jll v1.6.47+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 v1.12.0 [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 [1a1011a3] + SharedArrays v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.12.0 [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 v1.3.0+1 [deac9b47] + LibCURL_jll v8.12.1+1 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2024.12.31 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.5+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [efcefdf7] + PCRE2_jll v10.44.0+1 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.12.0+0 [8e850ede] + nghttp2_jll v1.65.0+0 [3f19e933] + p7zip_jll v17.5.0+2 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 4.09s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 145.58s ################################################################################ # Testing # Testing MolecularGaussians Status `/tmp/jl_HEh8bf/Project.toml` ⌅ [5ae59095] Colors v0.12.11 [150eb455] CoordinateTransformations v0.6.4 ⌅ [f2431ed1] GaussianMixtureAlignment v0.2.2 ⌅ [5c1252a2] GeometryBasics v0.4.11 [86223c79] Graphs v1.12.1 ⌅ [20f20a25] MakieCore v0.7.3 [be997a16] MolecularGaussians v0.3.3 ⌅ [6c89ec66] MolecularGraph v0.16.1 [429524aa] Optim v1.12.0 [6038ab10] Rotations v1.7.1 [90137ffa] StaticArrays v1.9.13 [37e2e46d] LinearAlgebra v1.12.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_HEh8bf/Manifest.toml` [47edcb42] ADTypes v1.14.0 [79e6a3ab] Adapt v4.3.0 [66dad0bd] AliasTables v1.1.3 [ec485272] ArnoldiMethod v0.4.0 [4fba245c] ArrayInterface v7.18.0 [159f3aea] Cairo v1.1.1 ⌅ [3da002f7] ColorTypes v0.11.5 ⌅ [5ae59095] Colors v0.12.11 [bbf7d656] CommonSubexpressions v0.3.1 [34da2185] Compat v4.16.0 [187b0558] ConstructionBase v1.5.8 [150eb455] CoordinateTransformations v0.6.4 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [a0c0ee7d] DifferentiationInterface v0.6.52 [b4f34e82] Distances v0.10.12 [ffbed154] DocStringExtensions v0.9.4 [497a8b3b] DoubleFloats v1.4.3 [4e289a0a] EnumX v1.0.5 [411431e0] Extents v0.1.5 [1a297f60] FillArrays v1.13.0 [6a86dc24] FiniteDiff v2.27.0 [53c48c17] FixedPointNumbers v0.8.5 [f6369f11] ForwardDiff v1.0.1 ⌅ [f2431ed1] GaussianMixtureAlignment v0.2.2 [14197337] GenericLinearAlgebra v0.3.17 [68eda718] GeoFormatTypes v0.4.4 [cf35fbd7] GeoInterface v1.4.1 ⌅ [5c1252a2] GeometryBasics v0.4.11 [a2bd30eb] Graphics v1.1.3 [86223c79] Graphs v1.12.1 [e91730f6] Hungarian v0.7.0 [d25df0c9] Inflate v0.1.5 [92d709cd] IrrationalConstants v0.2.4 [c8e1da08] IterTools v1.10.0 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [d3d80556] LineSearches v7.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [1914dd2f] MacroTools v0.5.16 ⌅ [20f20a25] MakieCore v0.7.3 [e1d29d7a] Missings v1.2.0 [be997a16] MolecularGaussians v0.3.3 ⌅ [6c89ec66] MolecularGraph v0.16.1 [948c7aac] MutableConvexHulls v0.2.6 [d41bc354] NLSolversBase v7.9.1 [77ba4419] NaNMath v1.1.3 [b8a86587] NearestNeighbors v0.4.21 [510215fc] Observables v0.5.5 [429524aa] Optim v1.12.0 [bac558e1] OrderedCollections v1.8.0 [7a42b37b] PairedLinkedLists v0.2.3 [d96e819e] Parameters v0.12.3 [69de0a69] Parsers v2.8.3 [f27b6e38] Polynomials v4.0.19 [85a6dd25] PositiveFactorizations v0.2.4 [aea7be01] PrecompileTools v1.3.2 [21216c6a] Preferences v1.4.3 [43287f4e] PtrArrays v1.3.0 [be4d8f0f] Quadmath v0.5.11 [94ee1d12] Quaternions v0.7.6 [c1ae055f] RealDot v0.1.0 [3cdcf5f2] RecipesBase v1.3.4 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.1 [6038ab10] Rotations v1.7.1 [efcf1570] Setfield v1.1.2 [699a6c99] SimpleTraits v0.9.4 [a2af1166] SortingAlgorithms 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v1.11.0 [3fa0cd96] REPL v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [1a1011a3] SharedArrays v1.11.0 [6462fe0b] Sockets v1.11.0 [2f01184e] SparseArrays v1.12.0 [f489334b] StyledStrings v1.11.0 [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 v8.12.1+1 [e37daf67] LibGit2_jll v1.9.0+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2024.12.31 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.5+0 [458c3c95] OpenSSL_jll v3.0.16+0 [efcefdf7] PCRE2_jll v10.44.0+1 [bea87d4a] SuiteSparse_jll v7.10.1+0 [83775a58] Zlib_jll v1.3.1+2 [8e850b90] libblastrampoline_jll v5.12.0+0 [8e850ede] nghttp2_jll v1.65.0+0 [3f19e933] p7zip_jll v17.5.0+2 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... Info Given MolecularGaussians was explicitly requested, output will be shown live  WARNING: Constructor for type "Float32" was extended in `Quadmath` without explicit qualification or import.  NOTE: Assumed "Float32" refers to `Base.Float32`. This behavior is deprecated and may differ in future versions.  NOTE: This behavior may have differed in Julia versions prior to 1.12.  Hint: If you intended to create a new generic function of the same name, use `function Float32 end`.  Hint: To silence the warning, qualify `Float32` as `Base.Float32` in the method signature or explicitly `import Base: Float32`. WARNING: Constructor for type "Float16" was extended in `Quadmath` without explicit qualification or import.  NOTE: Assumed "Float16" refers to `Base.Float16`. This behavior is deprecated and may differ in future versions.  NOTE: This behavior may have differed in Julia versions prior to 1.12.  Hint: If you intended to create a new generic function of the same name, use `function Float16 end`.  Hint: To silence the warning, qualify `Float16` as `Base.Float16` in the method signature or explicitly `import Base: Float16`. 72292.3 ms ✓ MolecularGaussians 1 dependency successfully precompiled in 74 seconds. 179 already precompiled. 1 dependency had output during precompilation: ┌ MolecularGaussians │ [Output was shown above] └ Test Summary: | Pass Total Time Gaussian Mixture Distance | 5 5 1m03.4s Test Summary: | Pass Total Time PharmacophoreGMM alignment | 3 3 32.3s Testing MolecularGaussians tests passed Testing completed after 195.93s PkgEval succeeded after 367.13s