Package evaluation of MolecularGaussians on Julia 1.10.9 (96dc2d8c45*) started at 2025-06-06T22:19:29.736 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 5.23s ################################################################################ # Installation # Installing MolecularGaussians... Resolving package versions... Updating `~/.julia/environments/v1.10/Project.toml` [be997a16] + MolecularGaussians v0.3.3 Updating `~/.julia/environments/v1.10/Manifest.toml` [47edcb42] + ADTypes v1.14.0 [79e6a3ab] + Adapt v4.3.0 [66dad0bd] + AliasTables v1.1.3 [ec485272] + ArnoldiMethod v0.4.0 [4fba245c] + ArrayInterface v7.19.0 [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 v0.6.54 [b4f34e82] + Distances v0.10.12 [ffbed154] + DocStringExtensions v0.9.4 [497a8b3b] + DoubleFloats v1.4.3 [4e289a0a] + EnumX v1.0.5 [411431e0] + Extents v0.1.6 [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 v1.13.0 [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 v1.8.1 [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 v1.2.1 [21216c6a] + Preferences v1.4.3 [43287f4e] + PtrArrays v1.3.0 [be4d8f0f] + Quadmath v0.5.13 [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 [82ae8749] + StatsAPI v1.7.1 [2913bbd2] + StatsBase v0.34.5 [69024149] + StringEncodings v0.3.7 ⌅ [09ab397b] + StructArrays v0.6.21 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [3a884ed6] + UnPack v1.0.2 [ddb6d928] + YAML v0.4.14 [6e34b625] + Bzip2_jll v1.0.9+0 [83423d85] + Cairo_jll v1.18.5+0 [5ae413db] + EarCut_jll v2.2.4+0 [2e619515] + Expat_jll v2.6.5+0 [a3f928ae] + Fontconfig_jll v2.16.0+0 [d7e528f0] + FreeType2_jll v2.13.4+0 [559328eb] + FriBidi_jll v1.0.17+0 [78b55507] + Gettext_jll v0.21.0+0 [7746bdde] + Glib_jll v2.84.0+0 [3b182d85] + Graphite2_jll v1.3.15+0 [2e76f6c2] + HarfBuzz_jll v8.5.1+0 [1d63c593] + LLVMOpenMP_jll v18.1.8+0 [dd4b983a] + LZO_jll v2.10.3+0 [e9f186c6] + Libffi_jll v3.4.7+0 [94ce4f54] + Libiconv_jll v1.18.0+0 [4b2f31a3] + Libmount_jll v2.41.0+0 [38a345b3] + Libuuid_jll v2.41.0+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [36c8627f] + Pango_jll v1.56.3+0 ⌅ [30392449] + Pixman_jll v0.44.2+0 ⌅ [02c8fc9c] + XML2_jll v2.13.6+1 [4f6342f7] + Xorg_libX11_jll v1.8.12+0 [0c0b7dd1] + Xorg_libXau_jll v1.0.13+0 [a3789734] + Xorg_libXdmcp_jll v1.1.6+0 [1082639a] + Xorg_libXext_jll v1.3.7+0 [ea2f1a96] + Xorg_libXrender_jll v0.9.12+0 [c7cfdc94] + Xorg_libxcb_jll v1.17.1+0 [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 v1.6.48+0 [0dad84c5] + ArgTools v1.1.1 [56f22d72] + Artifacts [2a0f44e3] + Base64 [ade2ca70] + Dates [8ba89e20] + Distributed [f43a241f] + Downloads v1.6.0 [7b1f6079] + FileWatching [9fa8497b] + Future [b77e0a4c] + InteractiveUtils [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 [8f399da3] + Libdl [37e2e46d] + LinearAlgebra [56ddb016] + Logging [d6f4376e] + Markdown [a63ad114] + Mmap [ca575930] + NetworkOptions v1.2.0 [44cfe95a] + Pkg v1.10.0 [de0858da] + Printf [3fa0cd96] + REPL [9a3f8284] + Random [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization [1a1011a3] + SharedArrays [6462fe0b] + Sockets [2f01184e] + SparseArrays v1.10.0 [10745b16] + Statistics v1.10.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs [4ec0a83e] + Unicode [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] + LibCURL_jll v8.4.0+0 [e37daf67] + LibGit2_jll v1.6.4+0 [29816b5a] + LibSSH2_jll v1.11.0+1 [c8ffd9c3] + MbedTLS_jll v2.28.2+1 [14a3606d] + MozillaCACerts_jll v2023.1.10 [4536629a] + OpenBLAS_jll v0.3.23+4 [05823500] + OpenLibm_jll v0.8.5+0 [efcefdf7] + PCRE2_jll v10.42.0+1 [bea87d4a] + SuiteSparse_jll v7.2.1+1 [83775a58] + Zlib_jll v1.2.13+1 [8e850b90] + libblastrampoline_jll v5.11.0+0 [8e850ede] + nghttp2_jll v1.52.0+1 [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 9.04s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 208.16s ################################################################################ # Testing # Testing MolecularGaussians Status `/tmp/jl_CdFqpz/Project.toml` ⌅ [5ae59095] Colors v0.12.11 [150eb455] CoordinateTransformations v0.6.4 ⌅ [f2431ed1] GaussianMixtureAlignment v0.2.2 ⌅ [5c1252a2] GeometryBasics v0.4.11 [86223c79] Graphs v1.13.0 ⌅ [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 [8dfed614] Test Status `/tmp/jl_CdFqpz/Manifest.toml` [47edcb42] ADTypes v1.14.0 [79e6a3ab] Adapt v4.3.0 [66dad0bd] AliasTables v1.1.3 [ec485272] ArnoldiMethod v0.4.0 [4fba245c] ArrayInterface v7.19.0 [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 v0.6.54 [b4f34e82] Distances v0.10.12 [ffbed154] DocStringExtensions v0.9.4 [497a8b3b] DoubleFloats v1.4.3 [4e289a0a] EnumX v1.0.5 [411431e0] Extents v0.1.6 [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 v1.13.0 [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 v1.8.1 [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 v1.2.1 [21216c6a] Preferences v1.4.3 [43287f4e] PtrArrays v1.3.0 [be4d8f0f] Quadmath v0.5.13 [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 [82ae8749] StatsAPI v1.7.1 [2913bbd2] StatsBase v0.34.5 [69024149] StringEncodings v0.3.7 ⌅ [09ab397b] StructArrays v0.6.21 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [3a884ed6] UnPack v1.0.2 [ddb6d928] YAML v0.4.14 [6e34b625] Bzip2_jll v1.0.9+0 [83423d85] Cairo_jll v1.18.5+0 [5ae413db] EarCut_jll v2.2.4+0 [2e619515] Expat_jll v2.6.5+0 [a3f928ae] Fontconfig_jll v2.16.0+0 [d7e528f0] FreeType2_jll v2.13.4+0 [559328eb] FriBidi_jll v1.0.17+0 [78b55507] Gettext_jll v0.21.0+0 [7746bdde] Glib_jll v2.84.0+0 [3b182d85] Graphite2_jll v1.3.15+0 [2e76f6c2] HarfBuzz_jll v8.5.1+0 [1d63c593] LLVMOpenMP_jll v18.1.8+0 [dd4b983a] LZO_jll v2.10.3+0 [e9f186c6] Libffi_jll v3.4.7+0 [94ce4f54] Libiconv_jll v1.18.0+0 [4b2f31a3] Libmount_jll v2.41.0+0 [38a345b3] Libuuid_jll v2.41.0+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [36c8627f] Pango_jll v1.56.3+0 ⌅ [30392449] Pixman_jll v0.44.2+0 ⌅ [02c8fc9c] XML2_jll v2.13.6+1 [4f6342f7] Xorg_libX11_jll v1.8.12+0 [0c0b7dd1] Xorg_libXau_jll v1.0.13+0 [a3789734] Xorg_libXdmcp_jll v1.1.6+0 [1082639a] Xorg_libXext_jll v1.3.7+0 [ea2f1a96] Xorg_libXrender_jll v0.9.12+0 [c7cfdc94] Xorg_libxcb_jll v1.17.1+0 [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 v1.6.48+0 [0dad84c5] ArgTools v1.1.1 [56f22d72] Artifacts [2a0f44e3] Base64 [ade2ca70] Dates [8ba89e20] Distributed [f43a241f] Downloads v1.6.0 [7b1f6079] FileWatching [9fa8497b] Future [b77e0a4c] InteractiveUtils [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 [8f399da3] Libdl [37e2e46d] LinearAlgebra [56ddb016] Logging [d6f4376e] Markdown [a63ad114] Mmap [ca575930] NetworkOptions v1.2.0 [44cfe95a] Pkg v1.10.0 [de0858da] Printf [3fa0cd96] REPL [9a3f8284] Random [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization [1a1011a3] SharedArrays [6462fe0b] Sockets [2f01184e] SparseArrays v1.10.0 [10745b16] Statistics v1.10.0 [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test [cf7118a7] UUIDs [4ec0a83e] Unicode [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] LibCURL_jll v8.4.0+0 [e37daf67] LibGit2_jll v1.6.4+0 [29816b5a] LibSSH2_jll v1.11.0+1 [c8ffd9c3] MbedTLS_jll v2.28.2+1 [14a3606d] MozillaCACerts_jll v2023.1.10 [4536629a] OpenBLAS_jll v0.3.23+4 [05823500] OpenLibm_jll v0.8.5+0 [efcefdf7] PCRE2_jll v10.42.0+1 [bea87d4a] SuiteSparse_jll v7.2.1+1 [83775a58] Zlib_jll v1.2.13+1 [8e850b90] libblastrampoline_jll v5.11.0+0 [8e850ede] nghttp2_jll v1.52.0+1 [3f19e933] p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... Test Summary: | Pass Total Time Gaussian Mixture Distance | 5 5 44.4s Test Summary: | Pass Total Time PharmacophoreGMM alignment | 3 3 24.7s Testing MolecularGaussians tests passed Testing completed after 85.31s PkgEval succeeded after 317.78s