Package evaluation to test PyBoltz on Julia 1.12.4 (422f456051*) started at 2026-01-29T04:44:23.789 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.12` Set-up completed after 8.42s ################################################################################ # Installation # Installing PyBoltz... Resolving package versions... Installed MicroMamba ────────────────── v0.1.14 Installed JSON3 ─────────────────────── v1.14.3 Installed Scratch ───────────────────── v1.3.0 Installed TableTraits ───────────────── v1.0.1 Installed Parsers ───────────────────── v2.8.3 Installed Tables ────────────────────── v1.12.1 Installed Preferences ───────────────── v1.5.1 Installed DataAPI ───────────────────── v1.16.0 Installed micromamba_jll ────────────── v1.5.12+0 Installed JLLWrappers ───────────────── v1.7.1 Installed IteratorInterfaceExtensions ─ v1.0.0 Installed StringEncodings ───────────── v0.3.7 Installed Pidfile ───────────────────── v1.3.0 Installed Libiconv_jll ──────────────── v1.18.0+0 Installed PythonCall ────────────────── v0.9.31 Installed DataValueInterfaces ───────── v1.0.0 Installed OrderedCollections ────────── v1.8.1 Installed MacroTools ────────────────── v0.5.16 Installed PrecompileTools ───────────── v1.3.3 Installed UnsafePointers ────────────── v1.0.0 Installed Compat ────────────────────── v4.18.1 Installed CondaPkg ──────────────────── v0.2.33 Installed YAML ──────────────────────── v0.4.16 Installed StructTypes ───────────────── v1.11.0 Installed pixi_jll ──────────────────── v0.41.3+0 Installed PyBoltz ───────────────────── v0.2.2 Installing 1 artifacts Installed artifact Libiconv 1.9 MiB Updating `~/.julia/environments/v1.12/Project.toml` [0bca4874] + PyBoltz v0.2.2 Updating `~/.julia/environments/v1.12/Manifest.toml` [34da2185] + Compat v4.18.1 [992eb4ea] + CondaPkg v0.2.33 [9a962f9c] + DataAPI v1.16.0 [e2d170a0] + DataValueInterfaces v1.0.0 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.1 [0f8b85d8] + JSON3 v1.14.3 [1914dd2f] + MacroTools v0.5.16 [0b3b1443] + MicroMamba v0.1.14 [bac558e1] + OrderedCollections v1.8.1 [69de0a69] + Parsers v2.8.3 [fa939f87] + Pidfile v1.3.0 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.1 [0bca4874] + PyBoltz v0.2.2 [6099a3de] + PythonCall v0.9.31 [6c6a2e73] + Scratch v1.3.0 [69024149] + StringEncodings v0.3.7 [856f2bd8] + StructTypes v1.11.0 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [e17b2a0c] + UnsafePointers v1.0.0 [ddb6d928] + YAML v0.4.16 [94ce4f54] + Libiconv_jll v1.18.0+0 ⌅ [f8abcde7] + micromamba_jll v1.5.12+0 [4d7b5844] + pixi_jll v0.41.3+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching 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 [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 [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 v8.15.0+0 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.11.4 [458c3c95] + OpenSSL_jll v3.5.4+0 [83775a58] + Zlib_jll v1.3.1+2 [8e850ede] + nghttp2_jll v1.64.0+1 [3f19e933] + p7zip_jll v17.7.0+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 7.98s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling packages... 4050.1 ms ✓ TestEnv 1 dependency successfully precompiled in 4 seconds. 26 already precompiled. Precompiling package dependencies... Precompiling packages... 3862.0 ms ✓ OrderedCollections 2472.1 ms ✓ Format 732.9 ms ✓ DataValueInterfaces 1069.8 ms ✓ Statistics 781.1 ms ✓ Twiddle 849.1 ms ✓ UnsafePointers 737.5 ms ✓ IteratorInterfaceExtensions 832.6 ms ✓ DataAPI 7623.0 ms ✓ MacroTools 1073.6 ms ✓ IntervalTrees 1291.1 ms ✓ TranscodingStreams 4072.6 ms ✓ StructTypes 888.8 ms ✓ Scratch 3756.2 ms ✓ Compat 1144.8 ms ✓ Preferences 1057.6 ms ✓ Pidfile 767.7 ms ✓ TableTraits 955.4 ms ✓ CodecZlib 4178.1 ms ✓ BioGenerics 1176.7 ms ✓ Compat → CompatLinearAlgebraExt 1137.5 ms ✓ PrecompileTools 1490.9 ms ✓ JLLWrappers 4844.3 ms ✓ Tables 2562.0 ms ✓ BioSymbols 3127.6 ms ✓ RecipesBase 21680.6 ms ✓ Parsers 1342.0 ms ✓ Libiconv_jll 4689.5 ms ✓ micromamba_jll 4668.8 ms ✓ pixi_jll 1382.6 ms ✓ TMscore_jll 13240.5 ms ✓ BioSequences 19045.2 ms ✓ BioStructures 19233.1 ms ✓ JSON3 1038.3 ms ✓ StringEncodings 8689.7 ms ✓ MicroMamba 1158.1 ms ✓ TMscore 3669.8 ms ✓ BioAlignments 1611.6 ms ✓ BioStructures → BioStructuresBioSequencesExt 5774.1 ms ✓ YAML 10272.2 ms ✓ CondaPkg 1487.4 ms ✓ TMscore → BioStructuresExt 1859.7 ms ✓ BioStructures → BioStructuresBioAlignmentsExt 39722.5 ms ✓ PythonCall 174577.4 ms ✓ PyBoltz 20206.3 ms ✓ PyBoltz → BioStructuresExt 45 dependencies successfully precompiled in 408 seconds. 31 already precompiled. 3 dependencies had output during precompilation: ┌ PyBoltz │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PyBoltz/PGqPe/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/83z4q/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/0UqYV/CondaPkg.toml │ CondaPkg Resolving changes │ + boltz (pip) │ + libstdcxx │ + libstdcxx-ng │ + openssl │ + python │ + uv │ CondaPkg Initialising pixi │ │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ │ init │ │ --format pixi │ └ /tmp/jl_pWx4EJ/.CondaPkg │ ✔ Created /tmp/jl_pWx4EJ/.CondaPkg/pixi.toml │ CondaPkg Wrote /tmp/jl_pWx4EJ/.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, >=3.10,<3.13" │ │ │ │ [project] │ │ name = ".CondaPkg" │ │ platforms = ["linux-64"] │ │ channels = ["conda-forge"] │ │ channel-priority = "strict" │ │ description = "automatically generated by CondaPkg.jl" │ │ │ │ [pypi-dependencies.boltz] │ │ extras = ["cuda"] │ └ version = "~=2.2" │ CondaPkg Installing packages │ │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ │ install │ └ --manifest-path /tmp/jl_pWx4EJ/.CondaPkg/pixi.toml │ ✔ The default environment has been installed. └ ┌ CondaPkg │ Downloading artifact: pixi └ ┌ MicroMamba │ Downloading artifact: micromamba └ Precompilation completed after 407.32s ################################################################################ # Testing # Testing PyBoltz Status `/tmp/jl_QINAe8/Project.toml` [00701ae9] BioAlignments v3.1.0 [7e6ae17a] BioSequences v3.5.1 [de9282ab] BioStructures v4.7.0 [0bca4874] PyBoltz v0.2.2 [6e960f36] TMscore v0.1.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_QINAe8/Manifest.toml` [00701ae9] BioAlignments v3.1.0 [47718e42] BioGenerics v0.1.5 [7e6ae17a] BioSequences v3.5.1 [de9282ab] BioStructures v4.7.0 [3c28c6f8] BioSymbols v5.2.0 [944b1d66] CodecZlib v0.7.8 [34da2185] Compat v4.18.1 [992eb4ea] CondaPkg v0.2.33 [9a962f9c] DataAPI v1.16.0 [e2d170a0] DataValueInterfaces v1.0.0 [1fa38f19] Format v1.3.7 [524e6230] IntervalTrees v1.1.0 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.1 [0f8b85d8] JSON3 v1.14.3 [1914dd2f] MacroTools v0.5.16 [0b3b1443] MicroMamba v0.1.14 [bac558e1] OrderedCollections v1.8.1 [69de0a69] Parsers v2.8.3 [fa939f87] Pidfile v1.3.0 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.1 [0bca4874] PyBoltz v0.2.2 [6099a3de] PythonCall v0.9.31 [3cdcf5f2] RecipesBase v1.3.4 [6c6a2e73] Scratch v1.3.0 [10745b16] Statistics v1.11.1 [69024149] StringEncodings v0.3.7 [856f2bd8] StructTypes v1.11.0 [6e960f36] TMscore v0.1.0 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [3bb67fe8] TranscodingStreams v0.11.3 [7200193e] Twiddle v1.1.2 [e17b2a0c] UnsafePointers v1.0.0 [ddb6d928] YAML v0.4.16 [94ce4f54] Libiconv_jll v1.18.0+0 [1d8dad79] TMscore_jll v1.0.0+0 ⌅ [f8abcde7] micromamba_jll v1.5.12+0 [4d7b5844] pixi_jll v0.41.3+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [f43a241f] Downloads v1.7.0 [7b1f6079] FileWatching 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 [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 v8.15.0+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 [458c3c95] OpenSSL_jll v3.5.4+0 [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 ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PyBoltz/PGqPe/CondaPkg.toml CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/83z4q/CondaPkg.toml CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/0UqYV/CondaPkg.toml CondaPkg Resolving changes + boltz (pip) + libstdcxx + libstdcxx-ng + openssl + python + uv CondaPkg Initialising pixi │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ init │ --format pixi └ /tmp/jl_QINAe8/.CondaPkg ✔ Created /tmp/jl_QINAe8/.CondaPkg/pixi.toml CondaPkg Wrote /tmp/jl_QINAe8/.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, >=3.10,<3.13" │ │ [project] │ name = ".CondaPkg" │ platforms = ["linux-64"] │ channels = ["conda-forge"] │ channel-priority = "strict" │ description = "automatically generated by CondaPkg.jl" │ │ [pypi-dependencies.boltz] │ extras = ["cuda"] └ version = "~=2.2" CondaPkg Installing packages │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ install └ --manifest-path /tmp/jl_QINAe8/.CondaPkg/pixi.toml ✔ The default environment has been installed. [ Info: Downloading file from PDB: 1TIT Running on CPU, this will be slow. Consider using a GPU. Seed set to 0 Downloading the CCD data to /home/pkgeval/.julia/scratchspaces/0bca4874-a2b8-4dca-bc03-d2d86e344f1f/boltz_cache/mols.tar. This may take a bit of time. You may change the cache directory with the --cache flag. Extracting the CCD data to /home/pkgeval/.julia/scratchspaces/0bca4874-a2b8-4dca-bc03-d2d86e344f1f/boltz_cache/mols. This may take a bit of time. You may change the cache directory with the --cache flag. Downloading the Boltz-2 weights to /home/pkgeval/.julia/scratchspaces/0bca4874-a2b8-4dca-bc03-d2d86e344f1f/boltz_cache/boltz2_conf.ckpt. You may change the cache directory with the --cache flag. Downloading the Boltz-2 affinity weights to /home/pkgeval/.julia/scratchspaces/0bca4874-a2b8-4dca-bc03-d2d86e344f1f/boltz_cache/boltz2_aff.ckpt. You may change the cache directory with the --cache flag. Checking input data. Processing 1 inputs with 1 threads. 0%| | 0/1 [00:00