Package evaluation to test DftFunctionals on Julia 1.14.0-DEV.3128 (f573e2bf71*) started at 2026-09-06T17:42:51.485 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 15.51s ################################################################################ # Installation # Installing DftFunctionals... Resolving package versions... Installed NaNMath ────────────────── v1.1.4 Installed SciMLPublic ────────────── v1.3.0 Installed SpecialFunctions ───────── v2.9.0 Installed ForwardDiff ────────────── v1.4.5 Installed Compat ─────────────────── v4.18.1 Installed Preferences ────────────── v1.5.2 Installed MacroTools ─────────────── v0.5.16 Installed ComponentArrays ────────── v0.15.48 Installed Static ─────────────────── v1.4.6 Installed LogExpFunctions ────────── v1.0.1 Installed DiffRules ──────────────── v1.16.0 Installed CommonWorldInvalidations ─ v1.2.1 Installed OpenSpecFun_jll ────────── v0.5.6+0 Installed DiffResults ────────────── v1.1.0 Installed JLLWrappers ────────────── v1.8.0 Installed PrecompileTools ────────── v1.3.4 Installed Adapt ──────────────────── v4.7.0 Installed CommonSubexpressions ───── v0.3.1 Installed StaticArraysCore ───────── v1.4.4 Installed ConstructionBase ───────── v1.6.0 Installed DftFunctionals ─────────── v0.3.2 Installed DocStringExtensions ────── v0.9.5 Installed ChainRulesCore ─────────── v1.26.1 Installed IrrationalConstants ────── v0.2.6 Installed IfElse ─────────────────── v0.1.1 Installed ArrayInterface ─────────── v7.30.1 Installed Functors ───────────────── v0.5.3 Installed StaticArrayInterface ───── v1.10.0 Installing 1 artifacts Installed artifact OpenSpecFun 105.4 KiB Updating `~/.julia/environments/v1.14/Project.toml` [6bd331d2] + DftFunctionals v0.3.2 Updating `~/.julia/environments/v1.14/Manifest.toml` [79e6a3ab] + Adapt v4.7.0 [4fba245c] + ArrayInterface v7.30.1 [d360d2e6] + ChainRulesCore v1.26.1 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.2.1 [34da2185] + Compat v4.18.1 [b0b7db55] + ComponentArrays v0.15.48 [187b0558] + ConstructionBase v1.6.0 [6bd331d2] + DftFunctionals v0.3.2 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.16.0 [ffbed154] + DocStringExtensions v0.9.5 [f6369f11] + ForwardDiff v1.4.5 [d9f16b24] + Functors v0.5.3 [615f187c] + IfElse v0.1.1 [92d709cd] + IrrationalConstants v0.2.6 [692b3bcd] + JLLWrappers v1.8.0 [2ab3a3ac] + LogExpFunctions v1.0.1 [1914dd2f] + MacroTools v0.5.16 [77ba4419] + NaNMath v1.1.4 [aea7be01] + PrecompileTools v1.3.4 [21216c6a] + Preferences v1.5.2 [431bcebd] + SciMLPublic v1.3.0 [276daf66] + SpecialFunctions v2.9.0 [aedffcd0] + Static v1.4.6 [0d7ed370] + StaticArrayInterface v1.10.0 [1e83bf80] + StaticArraysCore v1.4.4 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [56f22d72] + Artifacts v1.11.0 [ade2ca70] + Dates v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.14.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.13.0 [fa267f1f] + TOML v1.0.3 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.5.7+0 [4536629a] + OpenBLAS_jll v0.3.34+0 [05823500] + OpenLibm_jll v0.8.8+0 [8e850b90] + libblastrampoline_jll v5.15.0+0 Installation completed after 7.17s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling project... 3.6 s ✓ TestEnv 1 dependency successfully precompiled in 4 seconds. 27 already precompiled. Precompiling package dependencies... Precompiling project... 3.0 s ✓ MacroTools 0.7 s ✓ Adapt 0.7 s ✓ ConstructionBase 2.5 s ✓ IrrationalConstants 0.9 s ✓ StaticArraysCore 1.0 s ✓ DocStringExtensions 0.5 s ✓ IfElse 0.8 s ✓ NaNMath 0.9 s ✓ Compat 1.3 s ✓ Preferences 1.0 s ✓ CommonSubexpressions 0.8 s ✓ ArrayInterface 0.5 s ✓ ConstructionBase → ConstructionBaseLinearAlgebraExt 0.6 s ✓ DiffResults 1.1 s ✓ LogExpFunctions 0.5 s ✓ Compat → CompatLinearAlgebraExt 1.4 s ✓ JLLWrappers 1.0 s ✓ PrecompileTools 0.5 s ✓ ArrayInterface → ArrayInterfaceStaticArraysCoreExt 2.1 s ✓ ChainRulesCore 0.9 s ✓ Functors 1.6 s ✓ Libxc_jll 1.3 s ✓ OpenSpecFun_jll 1.7 s ✓ SciMLPublic 1.4 s ✓ CommonWorldInvalidations 0.4 s ✓ ArrayInterface → ArrayInterfaceChainRulesCoreExt 2.2 s ✓ LogExpFunctions → LogExpFunctionsChainRulesCoreExt 5.3 s ✓ SpecialFunctions 1.7 s ✓ Static 3.7 s ✓ SpecialFunctions → SpecialFunctionsChainRulesCoreExt 1.1 s ✓ DiffRules 2.8 s ✓ StaticArrayInterface 7.3 s ✓ ForwardDiff 3.1 s ✓ ComponentArrays 2.7 s ✓ DftFunctionals 35 dependencies successfully precompiled in 59 seconds. 31 already precompiled. Precompilation completed after 78.87s ################################################################################ # Testing # Testing DftFunctionals Status `/tmp/jl_ndVCaV/Project.toml` [b0b7db55] ComponentArrays v0.15.48 [6bd331d2] DftFunctionals v0.3.2 [163ba53b] DiffResults v1.1.0 [f6369f11] ForwardDiff v1.4.5 ⌅ [a56a6d9d] Libxc_jll v5.2.3+0 [8dfed614] Test v1.11.0 Status `/tmp/jl_ndVCaV/Manifest.toml` [79e6a3ab] Adapt v4.7.0 [4fba245c] ArrayInterface v7.30.1 [d360d2e6] ChainRulesCore v1.26.1 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.2.1 [34da2185] Compat v4.18.1 [b0b7db55] ComponentArrays v0.15.48 [187b0558] ConstructionBase v1.6.0 [6bd331d2] DftFunctionals v0.3.2 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.16.0 [ffbed154] DocStringExtensions v0.9.5 [f6369f11] ForwardDiff v1.4.5 [d9f16b24] Functors v0.5.3 [615f187c] IfElse v0.1.1 [92d709cd] IrrationalConstants v0.2.6 [692b3bcd] JLLWrappers v1.8.0 [2ab3a3ac] LogExpFunctions v1.0.1 [1914dd2f] MacroTools v0.5.16 [77ba4419] NaNMath v1.1.4 [aea7be01] PrecompileTools v1.3.4 [21216c6a] Preferences v1.5.2 [431bcebd] SciMLPublic v1.3.0 [276daf66] SpecialFunctions v2.9.0 [aedffcd0] Static v1.4.6 [0d7ed370] StaticArrayInterface v1.10.0 [1e83bf80] StaticArraysCore v1.4.4 ⌅ [a56a6d9d] Libxc_jll v5.2.3+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [0dad84c5] ArgTools v1.2.0 [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 v1.13.0 [b27032c2] LibCURL v1.0.0 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.14.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.14.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v1.13.0 [9e88b42a] Serialization v1.11.0 [f489334b] StyledStrings v1.13.0 [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 v1.5.7+0 [deac9b47] LibCURL_jll v8.21.0+0 [e37daf67] LibGit2_jll v1.9.7+0 [29816b5a] LibSSH2_jll v1.11.104+0 [14a3606d] MozillaCACerts_jll v2026.8.13 [4536629a] OpenBLAS_jll v0.3.34+0 [05823500] OpenLibm_jll v0.8.8+0 [458c3c95] OpenSSL_jll v3.5.8+0 [efcefdf7] PCRE2_jll v10.48.0+0 [83775a58] Zlib_jll v1.3.2+0 [3161d3a3] Zstd_jll v1.5.7+1 [8e850b90] libblastrampoline_jll v5.15.0+0 [8e850ede] nghttp2_jll v1.70.0+0 [3f19e933] p7zip_jll v17.8.2+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... gga_c_pbe: Test Failed at /home/pkgeval/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 Expression: ≈(result.Vρρ, Vρρref, atol = 5.0e-13) Evaluated: BigFloat[-0.002771001550250086038907600304371991652996875494412543425390659263988964396191049;;; -0.4008237620470025369975110709742469015267780376331425213716594154573071312010721;;; -0.2834931935579875995844292212641570271711514650023065464533298563697354578779111;;; … ;;; -4.39675032857146018082781847912365742172221120551343145872135371651734554521131e-5;;; -0.03059143994041753925606085038731654645727249152142896862066541833942141481796021;;; -0.04182030159738181057319782086136598578807727639355792650712905307581492886751096] ≈ [-0.0027710015502500854;;; -0.4008237620470029;;; -0.2834931935579876;;; … ;;; -4.396750329045711e-5;;; -0.030591439940417492;;; -0.04182030159738062] (atol=5.0e-13) Stacktrace: [1] top-level scope @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:7 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [3] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:126 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [5] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:128 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [7] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 [inlined] [8] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] gga_c_pbe_sol: Test Failed at /home/pkgeval/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 Expression: ≈(result.Vρρ, Vρρref, atol = 5.0e-13) Evaluated: BigFloat[-0.002820036393252541521436999986896646900722760502168558298862409245114915618286541;;; -0.3315667077312632483893305642416137962936174225005724822019055153484297360652973;;; -0.2302931791812149372459070128225023930725334400000793917489785892199948238399209;;; … ;;; -9.240823591965298202433894569445265525266521054941972853792728095508958320154278e-5;;; -0.006623232974946212555789279064705555113301184352187509918758066283691586824549483;;; -0.08345604746256754709360395018694059342998308195390365842336284656391642993989679] ≈ [-0.002820036393252541;;; -0.33156670773126323;;; -0.23029317918121486;;; … ;;; -9.240823591957077e-5;;; -0.0066232329749463525;;; -0.08345604746257565] (atol=5.0e-13) Stacktrace: [1] top-level scope @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:7 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [3] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:126 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [5] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:128 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [7] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 [inlined] [8] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] gga_c_pbefe: Test Failed at /home/pkgeval/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 Expression: ≈(result.Vρρ, Vρρref, atol = 5.0e-13) Evaluated: BigFloat[-0.002827170179117283643880412177197277431226097879128950173384784671313153501436381;;; -0.3143499374052150080930189899000343439728837435963320162147174433320879357084642;;; -0.2178153359952227058553542556846030439804023086966389520032750681256291957560491;;; … ;;; -0.0001057261237271126266515356003513629432772646780539961838068873315615280696866343;;; -0.003594697853673307213519301230153239143081032930093062076635896620095069394580975;;; -0.09437006271296220275181341649104640970638930659630536026596612954475117345659573] ≈ [-0.002827170179117283;;; -0.31434993740521433;;; -0.21781533599522246;;; … ;;; -0.00010572612374837882;;; -0.00359469785367339;;; -0.09437006271297091] (atol=5.0e-13) Stacktrace: [1] top-level scope @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:7 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [3] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:126 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [5] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:128 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [7] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 [inlined] [8] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] gga_c_xpbe: Test Failed at /home/pkgeval/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 Expression: ≈(result.Vρρ, Vρρref, atol = 5.0e-13) Evaluated: BigFloat[-0.002718977551861079657506733456422079857219402160713781194061195811842517771996024;;; -0.3167195461311106411955348757292092350520793650900297011378981986677020318739384;;; -0.2169516204860896142647708203513612789315966005880853122696008797595528889762093;;; … ;;; -4.948359978485926157708870521809643473807007724474754014752575610485012356926808e-5;;; -0.04665138548085458702700283433058733958602842633743570002360614634782416325433887;;; -0.0514282231409206766445425020811495880620333482614134061649718259360875289257803] ≈ [-0.002718977551861079;;; -0.31671954613111086;;; -0.2169516204860895;;; … ;;; -4.9483599784596474e-5;;; -0.04665138548085468;;; -0.05142822314091543] (atol=5.0e-13) Stacktrace: [1] top-level scope @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:7 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [3] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:126 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [5] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:128 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2247 [inlined] [7] macro expansion @ ~/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:156 [inlined] [8] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] Test Summary: | Pass Fail Total Time DftFunctionals.jl | 198 4 202 1m03.2s LDA Functional construction | 13 13 0.4s GGA Functional construction | 65 65 1.2s Parameter interface defaults | 2 2 0.8s LDA potential (without spin) | 3 3 3.9s GGA potential (without spin) | 4 4 2.4s Fallback <-> Libxc (LDA, without spin) | 12 12 16.3s Fallback <-> Libxc (GGA, without spin) | 87 4 91 32.6s gga_x_pbe | 7 7 8.1s gga_c_pbe | 6 1 7 23.7s gga_x_pbe_r | 7 7 0.0s gga_x_pbe_sol | 7 7 0.0s gga_c_pbe_sol | 6 1 7 0.1s gga_x_pbefe | 7 7 0.0s gga_c_pbefe | 6 1 7 0.1s gga_x_xpbe | 7 7 0.0s gga_c_xpbe | 6 1 7 0.1s gga_x_pbe_mol | 7 7 0.0s gga_c_pbe_mol | 7 7 0.1s gga_x_apbe | 7 7 0.0s gga_c_apbe | 7 7 0.1s Test spinindex_σ | 4 4 0.0s PBE functionals | 7 7 0.8s PBE parameter derivatives | 1 1 4.6s RNG of the outermost testset: Random.Xoshiro(0xee567765cb60f690, 0xa5cd47cecd71acee, 0x01e0564c122a9604, 0x24a1cedc7ea51f90, 0xe98ca656050ec85e) ERROR: LoadError: Some tests did not pass: 198 passed, 4 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/DftFunctionals/yvIo6/test/runtests.jl:6 Testing failed after 82.59s ERROR: LoadError: Package DftFunctionals errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.14/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/v1.14/Pkg/src/Operations.jl:3298 [3] 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/v1.14/Pkg/src/API.jl:587 [4] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:172 [5] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [6] test(pkg::String; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:159 [inlined] [7] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:223 in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 PkgEval failed after 219.51s: package has test failures