Package evaluation to test CHGNetInterface on Julia 1.12.7-DEV.42 (6f510b6086*) started at 2026-06-19T14:50:07.383 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.12` Set-up completed after 8.16s ################################################################################ # Installation # Installing CHGNetInterface... Resolving package versions... Updating `~/.julia/environments/v1.12/Project.toml` [ed376acd] + CHGNetInterface v0.1.0 Updating `~/.julia/environments/v1.12/Manifest.toml` [ed376acd] + CHGNetInterface v0.1.0 [992eb4ea] + CondaPkg v0.2.36 [9a962f9c] + DataAPI v1.16.0 [e2d170a0] + DataValueInterfaces v1.0.0 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.8.0 [682c06a0] + JSON v1.6.1 [1914dd2f] + MacroTools v0.5.16 [0b3b1443] + MicroMamba v0.1.15 ⌅ [bac558e1] + OrderedCollections v1.8.2 [69de0a69] + Parsers v2.8.6 [fa939f87] + Pidfile v1.3.0 [aea7be01] + PrecompileTools v1.3.4 [21216c6a] + Preferences v1.5.2 [6099a3de] + PythonCall v0.9.35 [6c6a2e73] + Scratch v1.3.0 [ec057cc2] + StructUtils v2.8.2 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [e17b2a0c] + UnsafePointers v1.0.0 [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 [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 [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 v3.5.6+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 5.29s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling packages... 136673.5 ms ✓ CHGNetInterface 1 dependency successfully precompiled in 138 seconds. 52 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, 18 dependents of these packages may trigger further precompilation to work with the unexpected versions. 1 dependency had output during precompilation: ┌ CHGNetInterface │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CHGNetInterface/9Owqp/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/5WGSP/CondaPkg.toml │ CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/lKlVY/CondaPkg.toml │ CondaPkg Resolving changes │ + ase (pip) │ + chgnet (pip) │ + libstdcxx │ + libstdcxx-ng │ + numpy (pip) │ + openssl │ + pixi │ + pymatgen (pip) │ + python │ + torch (pip) │ + uv │ CondaPkg Initialising pixi │ │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ │ init │ │ --format pixi │ └ /tmp/jl_rJnMb0/.CondaPkg │ ✔ Created /tmp/jl_rJnMb0/.CondaPkg/pixi.toml │ CondaPkg Wrote /tmp/jl_rJnMb0/.CondaPkg/pixi.toml │ │ [dependencies] │ │ openssl = ">=3, <3.6" │ │ libstdcxx = ">=3.4,<15.0" │ │ pixi = "*" │ │ libstdcxx-ng = ">=3.4,<15.0" │ │ uv = ">=0.4" │ │ │ │ [dependencies.python] │ │ channel = "conda-forge" │ │ build = "*cp*" │ │ version = ">=3.10,!=3.14.0,!=3.14.1,<4, 3.10.*" │ │ │ │ [workspace] │ │ name = ".CondaPkg" │ │ platforms = ["linux-64"] │ │ channels = ["conda-forge"] │ │ channel-priority = "strict" │ │ description = "automatically generated by CondaPkg.jl" │ │ │ │ [pypi-dependencies] │ │ pymatgen = "*" │ │ chgnet = "*" │ │ ase = "*" │ │ numpy = "*" │ └ torch = "*" │ CondaPkg Installing packages │ │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ │ install │ └ --manifest-path /tmp/jl_rJnMb0/.CondaPkg/pixi.toml │ ✔ The default environment has been installed. └ Precompilation completed after 122.01s ################################################################################ # Testing # Testing CHGNetInterface Status `/tmp/jl_BF6H8T/Project.toml` [ed376acd] CHGNetInterface v0.1.0 [992eb4ea] CondaPkg v0.2.36 [6099a3de] PythonCall v0.9.35 [8dfed614] Test v1.11.0 Status `/tmp/jl_BF6H8T/Manifest.toml` [ed376acd] CHGNetInterface v0.1.0 [992eb4ea] CondaPkg v0.2.36 [9a962f9c] DataAPI v1.16.0 [e2d170a0] DataValueInterfaces v1.0.0 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.8.0 [682c06a0] JSON v1.6.1 [1914dd2f] MacroTools v0.5.16 [0b3b1443] MicroMamba v0.1.15 ⌅ [bac558e1] OrderedCollections v1.8.2 [69de0a69] Parsers v2.8.6 [fa939f87] Pidfile v1.3.0 [aea7be01] PrecompileTools v1.3.4 [21216c6a] Preferences v1.5.2 [6099a3de] PythonCall v0.9.35 [6c6a2e73] Scratch v1.3.0 [ec057cc2] StructUtils v2.8.2 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [e17b2a0c] UnsafePointers v1.0.0 [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 [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 [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 v3.5.6+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. Testing Running tests... CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CHGNetInterface/9Owqp/CondaPkg.toml CondaPkg Found dependencies: /home/pkgeval/.julia/packages/PythonCall/5WGSP/CondaPkg.toml CondaPkg Found dependencies: /home/pkgeval/.julia/packages/CondaPkg/lKlVY/CondaPkg.toml CondaPkg Resolving changes + ase (pip) + chgnet (pip) + libstdcxx + libstdcxx-ng + numpy (pip) + openssl + pixi + pymatgen (pip) + python + torch (pip) + uv CondaPkg Initialising pixi │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ init │ --format pixi └ /tmp/jl_BF6H8T/.CondaPkg ✔ Created /tmp/jl_BF6H8T/.CondaPkg/pixi.toml CondaPkg Wrote /tmp/jl_BF6H8T/.CondaPkg/pixi.toml │ [dependencies] │ openssl = ">=3, <3.6" │ libstdcxx = ">=3.4,<15.0" │ pixi = "*" │ libstdcxx-ng = ">=3.4,<15.0" │ uv = ">=0.4" │ │ [dependencies.python] │ channel = "conda-forge" │ build = "*cp*" │ version = ">=3.10,!=3.14.0,!=3.14.1,<4, 3.10.*" │ │ [workspace] │ name = ".CondaPkg" │ platforms = ["linux-64"] │ channels = ["conda-forge"] │ channel-priority = "strict" │ description = "automatically generated by CondaPkg.jl" │ │ [pypi-dependencies] │ pymatgen = "*" │ chgnet = "*" │ ase = "*" │ numpy = "*" └ torch = "*" CondaPkg Installing packages │ /home/pkgeval/.julia/artifacts/4ae17cee0bd922f66b2c72bf2f01c22481a5ec19/bin/pixi │ install └ --manifest-path /tmp/jl_BF6H8T/.CondaPkg/pixi.toml ✔ The default environment has been installed. ┌ Info: Using pretrained CHGNet test model (will download if needed) └ model_name = "0.3.0" ┌ Info: Using pretrained CHGNet test model (will download if needed) └ model_name = "0.3.0" /tmp/jl_BF6H8T/.CondaPkg/.pixi/envs/default/lib/python3.10/site-packages/chgnet/model/model.py:898: UserWarning: Converting a tensor with requires_grad=True to a scalar may lead to unexpected behavior. Consider using tensor.detach() first. (Triggered internally at /pytorch/torch/csrc/autograd/generated/python_variable_methods.cpp:838.) volumes = torch.tensor(volumes, dtype=TORCH_DTYPE, device=atomic_numbers.device) Integration: Error During Test at /home/pkgeval/.julia/packages/CHGNetInterface/9Owqp/test/runtests.jl:92 Got exception outside of a @test ArgumentError: site energies are unavailable; construct CHGNetPotential with return_site_energies=true Stacktrace: [1] site_energies(pot::CHGNetPotential) @ CHGNetInterface ~/.julia/packages/CHGNetInterface/9Owqp/src/CHGNetInterface.jl:341 [2] top-level scope @ ~/.julia/packages/CHGNetInterface/9Owqp/test/runtests.jl:54 [3] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1777 [inlined] [4] macro expansion @ ~/.julia/packages/CHGNetInterface/9Owqp/test/runtests.jl:93 [inlined] [5] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1777 [inlined] [6] macro expansion @ ~/.julia/packages/CHGNetInterface/9Owqp/test/runtests.jl:120 [inlined] [7] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:307 [8] top-level scope @ none:6 [9] eval(m::Module, e::Any) @ Core ./boot.jl:489 [10] exec_options(opts::Base.JLOptions) @ Base ./client.jl:283 [11] _start() @ Base ./client.jl:550 Test Summary: | Pass Error Total Time CHGNetInterface.jl | 25 1 26 28.8s Imports | 4 4 1.2s Unit system | 9 9 0.3s Constructor validation | 5 5 13.0s Integration | 7 1 8 14.4s RNG of the outermost testset: Random.Xoshiro(0x1dfb37fd2b17ea0a, 0x74ee0947b8de6fbf, 0x3716755279445885, 0x34b26e67a64eebc0, 0x0116a34640316620) ERROR: LoadError: Some tests did not pass: 25 passed, 0 failed, 1 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/CHGNetInterface/9Owqp/test/runtests.jl:53 CHGNet v0.3.0 initialized with 412,525 parameters CHGNet will run on cpu CHGNet v0.3.0 initialized with 412,525 parameters CHGNet will run on cpu Testing failed after 141.08s ERROR: LoadError: Package CHGNetInterface errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.12/Pkg/src/Types.jl:68 [2] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, julia_args::Cmd, test_args::Cmd, test_fn::Nothing, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.12/Pkg/src/Operations.jl:2538 [3] test @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/Operations.jl:2387 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, test_fn::Nothing, julia_args::Cmd, test_args::Cmd, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:552 [5] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:169 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:157 [7] test @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:157 [inlined] [8] #test#81 @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:156 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:223 [10] include(mod::Module, _path::String) @ Base ./Base.jl:306 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:317 [12] _start() @ Base ./client.jl:550 in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 PkgEval failed after 428.25s: package tests unexpectedly errored