Package evaluation to test PyBoltz on Julia 1.10.10 (c8be17dcfd*) started at 2026-02-02T17:25:11.660 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.10` Set-up completed after 3.53s ################################################################################ # Installation # Installing PyBoltz... Resolving package versions... Updating `~/.julia/environments/v1.10/Project.toml` [0bca4874] + PyBoltz v0.2.2 Updating `~/.julia/environments/v1.10/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 v1.2.1 [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 v1.1.1 [56f22d72] + Artifacts [2a0f44e3] + Base64 [ade2ca70] + Dates [f43a241f] + Downloads v1.6.0 [7b1f6079] + FileWatching [b77e0a4c] + InteractiveUtils [4af54fe1] + LazyArtifacts [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 [8f399da3] + Libdl [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 [6462fe0b] + Sockets [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [8dfed614] + Test [cf7118a7] + UUIDs [4ec0a83e] + Unicode [deac9b47] + LibCURL_jll v8.4.0+0 [e37daf67] + LibGit2_jll v1.6.4+0 [29816b5a] + LibSSH2_jll v1.11.0+1 [c8ffd9c3] + MbedTLS_jll v2.28.1010+0 [14a3606d] + MozillaCACerts_jll v2025.12.2 [83775a58] + Zlib_jll v1.2.13+1 [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 6.97s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling packages... 98234.8 ms ✓ PyBoltz 6301.5 ms ✓ PyBoltz → BioStructuresExt 2 dependencies successfully precompiled in 107 seconds. 49 already precompiled. 1 dependency 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 │ + python │ + uv │ CondaPkg Initialising pixi │ │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ │ init │ │ --format pixi │ └ /tmp/jl_emvh7S/.CondaPkg │ ✔ Created /tmp/jl_emvh7S/.CondaPkg/pixi.toml │ CondaPkg Wrote /tmp/jl_emvh7S/.CondaPkg/pixi.toml │ │ [dependencies] │ │ libstdcxx = ">=3.4,<14.0" │ │ uv = ">=0.4" │ │ libstdcxx-ng = ">=3.4,<14.0" │ │ │ │ [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_emvh7S/.CondaPkg/pixi.toml │ ✔ The default environment has been installed. └ Precompilation completed after 113.8s ################################################################################ # Testing # Testing PyBoltz Status `/tmp/jl_PxvTm9/Project.toml` [00701ae9] BioAlignments v3.1.0 [7e6ae17a] BioSequences v3.5.1 [de9282ab] BioStructures v4.7.1 [0bca4874] PyBoltz v0.2.2 [6e960f36] TMscore v0.1.0 [8dfed614] Test Status `/tmp/jl_PxvTm9/Manifest.toml` [00701ae9] BioAlignments v3.1.0 [47718e42] BioGenerics v0.1.5 [7e6ae17a] BioSequences v3.5.1 [de9282ab] BioStructures v4.7.1 [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 v1.2.1 [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 [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 v1.1.1 [56f22d72] Artifacts [2a0f44e3] Base64 [ade2ca70] Dates [f43a241f] Downloads v1.6.0 [7b1f6079] FileWatching [b77e0a4c] InteractiveUtils [4af54fe1] LazyArtifacts [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 [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 v2.28.1010+0 [14a3606d] MozillaCACerts_jll v2025.12.2 [4536629a] OpenBLAS_jll v0.3.23+5 [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... 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 + python + uv CondaPkg Initialising pixi │ /home/pkgeval/.julia/artifacts/cefba4912c2b400756d043a2563ef77a0088866b/bin/pixi │ init │ --format pixi └ /tmp/jl_PxvTm9/.CondaPkg ✔ Created /tmp/jl_PxvTm9/.CondaPkg/pixi.toml CondaPkg Wrote /tmp/jl_PxvTm9/.CondaPkg/pixi.toml │ [dependencies] │ libstdcxx = ">=3.4,<14.0" │ uv = ">=0.4" │ libstdcxx-ng = ">=3.4,<14.0" │ │ [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_PxvTm9/.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