Package evaluation to test Quiqbox on Julia 1.14.0-DEV.1491 (0e7d18362a*) started at 2026-01-11T15:28:34.966 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 7.42s ################################################################################ # Installation # Installing Quiqbox... Resolving package versions... Updating `~/.julia/environments/v1.14/Project.toml` [7cb8c394] + Quiqbox v0.6.3 Updating `~/.julia/environments/v1.14/Manifest.toml` [861a8166] + Combinatorics v1.1.0 [34da2185] + Compat v4.18.1 [864edb3b] + DataStructures v0.19.3 [ffbed154] + DocStringExtensions v0.9.5 [19dc6840] + HCubature v1.8.0 [92d709cd] + IrrationalConstants v0.2.6 [692b3bcd] + JLLWrappers v1.7.1 [5be7bae1] + LBFGSB v0.4.1 [8ac3fa9e] + LRUCache v1.6.2 [2ab3a3ac] + LogExpFunctions v0.3.29 [bac558e1] + OrderedCollections v1.8.1 [65ce6f38] + PackageExtensionCompat v1.0.2 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.1 [43287f4e] + PtrArrays v1.3.0 [1fd47b50] + QuadGK v2.11.2 [7cb8c394] + Quiqbox v0.6.3 [bf97046b] + SPGBox v0.7.2 [276daf66] + SpecialFunctions v2.6.1 [90137ffa] + StaticArrays v1.9.16 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [5e0ebb24] + Strided v2.3.2 [4db3bf67] + StridedViews v0.4.1 [6aa20fa7] + TensorOperations v5.4.0 [1c621080] + TestItems v1.0.0 [9d95972d] + TupleTools v1.6.0 [409d34a3] + VectorInterface v0.5.0 [81d17ec3] + L_BFGS_B_jll v3.0.1+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+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 [ac6e5ff7] + JuliaSyntaxHighlighting v1.13.0 [b27032c2] + LibCURL v1.0.0 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [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 v1.0.0 [f489334b] + StyledStrings v1.13.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.17.0+0 [e37daf67] + LibGit2_jll v1.9.2+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.12.2 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.4+0 [efcefdf7] + PCRE2_jll v10.47.0+0 [83775a58] + Zlib_jll v1.3.1+2 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.68.0+1 [3f19e933] + p7zip_jll v17.7.0+0 Installation completed after 3.93s ################################################################################ # Precompilation # ERROR: LoadError: MethodError: no method matching setindex!(::Base.ScopedValues.ScopedValue{IO}, ::Nothing) The function `setindex!` exists, but no method is defined for this combination of argument types. Stacktrace: [1] top-level scope @ /PkgEval.jl/scripts/precompile.jl:10 [2] include(mod::Module, _path::String) @ Base ./Base.jl:309 [3] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [4] _start() @ Base ./client.jl:585 in expression starting at /PkgEval.jl/scripts/precompile.jl:6 caused by: MethodError: no method matching setindex!(::Base.ScopedValues.ScopedValue{IO}, ::Base.DevNull) The function `setindex!` exists, but no method is defined for this combination of argument types. Stacktrace: [1] top-level scope @ /PkgEval.jl/scripts/precompile.jl:7 [2] include(mod::Module, _path::String) @ Base ./Base.jl:309 [3] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [4] _start() @ Base ./client.jl:585 Precompilation failed after 10.79s ################################################################################ # Testing # Testing Quiqbox Status `/tmp/jl_oM5X7f/Project.toml` [4c88cf16] Aqua v0.8.14 [861a8166] Combinatorics v1.1.0 [e30172f5] Documenter v1.16.1 [19dc6840] HCubature v1.8.0 [5be7bae1] LBFGSB v0.4.1 [8ac3fa9e] LRUCache v1.6.2 [aea7be01] PrecompileTools v1.3.3 [7cb8c394] Quiqbox v0.6.3 [bf97046b] SPGBox v0.7.2 [276daf66] SpecialFunctions v2.6.1 [10745b16] Statistics v1.11.1 [fd094767] Suppressor v0.2.8 [6aa20fa7] TensorOperations v5.4.0 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_oM5X7f/Manifest.toml` [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [4c88cf16] Aqua v0.8.14 [944b1d66] CodecZlib v0.7.8 [861a8166] Combinatorics v1.1.0 [34da2185] Compat v4.18.1 [864edb3b] DataStructures v0.19.3 [ffbed154] DocStringExtensions v0.9.5 [e30172f5] Documenter v1.16.1 [d7ba0133] Git v1.5.0 [19dc6840] HCubature v1.8.0 [b5f81e59] IOCapture v1.0.0 [92d709cd] IrrationalConstants v0.2.6 [692b3bcd] JLLWrappers v1.7.1 [682c06a0] JSON v1.3.0 [5be7bae1] LBFGSB v0.4.1 [8ac3fa9e] LRUCache v1.6.2 [0e77f7df] LazilyInitializedFields v1.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [d0879d2d] MarkdownAST v0.1.2 [bac558e1] OrderedCollections v1.8.1 [65ce6f38] PackageExtensionCompat v1.0.2 [69de0a69] Parsers v2.8.3 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.1 [43287f4e] PtrArrays v1.3.0 [1fd47b50] QuadGK v2.11.2 [7cb8c394] Quiqbox v0.6.3 [2792f1a3] RegistryInstances v0.1.0 [bf97046b] SPGBox v0.7.2 [276daf66] SpecialFunctions v2.6.1 [90137ffa] StaticArrays v1.9.16 [1e83bf80] StaticArraysCore v1.4.4 [10745b16] Statistics v1.11.1 [5e0ebb24] Strided v2.3.2 [4db3bf67] StridedViews v0.4.1 [ec057cc2] StructUtils v2.6.1 [fd094767] Suppressor v0.2.8 [6aa20fa7] TensorOperations v5.4.0 [1c621080] TestItems v1.0.0 [3bb67fe8] TranscodingStreams v0.11.3 [9d95972d] TupleTools v1.6.0 [409d34a3] VectorInterface v0.5.0 [2e619515] Expat_jll v2.7.3+0 [020c3dae] Git_LFS_jll v3.7.0+0 [f8c6e375] Git_jll v2.52.0+0 [81d17ec3] L_BFGS_B_jll v3.0.1+0 [94ce4f54] Libiconv_jll v1.18.0+0 [9bd350c2] OpenSSH_jll v10.2.1+0 [efe28fd5] OpenSpecFun_jll v0.5.6+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 v1.13.0 [b27032c2] LibCURL v1.0.0 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [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 [3fa0cd96] REPL v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v1.0.0 [9e88b42a] Serialization v1.11.0 [6462fe0b] Sockets 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 v1.3.0+1 [deac9b47] LibCURL_jll v8.17.0+0 [e37daf67] LibGit2_jll v1.9.2+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.12.2 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.7+0 [458c3c95] OpenSSL_jll v3.5.4+0 [efcefdf7] PCRE2_jll v10.47.0+0 [83775a58] Zlib_jll v1.3.1+2 [3161d3a3] Zstd_jll v1.5.7+1 [8e850b90] libblastrampoline_jll v5.15.0+0 [8e850ede] nghttp2_jll v1.68.0+1 [3f19e933] p7zip_jll v17.7.0+0 Testing Running tests... Number of threads used for testing: 1 Testing Utility Components... Utility Components test finished in 131.916574156 seconds. Testing Core Framework... Query.jl: Test Failed at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:122 Expression: collect(ed1) == [false => 1.0, true => 2.0] Evaluated: Pair{Bool, Float64}[1 => 2.0, 0 => 1.0] == Pair{Bool, Float64}[0 => 1.0, 1 => 2.0] Stacktrace: [1] top-level scope @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:8 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:1995 [inlined] [3] macro expansion @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:122 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:773 [inlined] Query.jl: Test Failed at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:123 Expression: all((ele == Pair(Bool(i - 1), i) for (ele, i) = zip(ed1, 1:length(ed1)))) Evaluated: all(Base.Generator{Base.Iterators.Zip{Tuple{EncodedDict{Bool, Float64, Int64, var"#edEncoder#edEncoder##0"}, UnitRange{Int64}}}, var"#83#84"}(var"#83#84"(), zip(EncodedDict{Bool, Float64, Int64, var"#edEncoder#edEncoder##0"}(1 => 2.0, 0 => 1.0), 1:2))) Stacktrace: [1] top-level scope @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:8 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:1995 [inlined] [3] macro expansion @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:123 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:773 [inlined] Core Framework test finished in 17.331864333 seconds. Testing Function-Composition System... Function-Composition System test finished in 92.166745438 seconds. Testing Numerical-Computation System... Numerical-Computation System test finished in 5.252722005 seconds. Testing Basis-Construction System... Basis-Construction System test finished in 45.915015123 seconds. Testing Differentiation System... Differentiation System test finished in 2.453129892 seconds. Testing Integration System... Integration System test finished in 1446.696287531 seconds. Testing Ab Initio Computation System... ===== Large discrepancy detected at len=2.1: 1.3834132484014106e-7 Detailed info: System Information: •Number of Electrons: 2 •Number of Nuclei: 2 •Nuclear Coordinate: 1) H: [ 0.0000000000, 0.0000000000, 0.0000000000] 2) H: [ 2.1000000000, 0.0000000000, 0.0000000000] Hartree–Fock (HF) Initialization (Finished in 1.707774 milliseconds): •HF Type: Unrestricted open-shell (UHF) •Basis Set Size: 4 •Initial Guess Method: SAD •Initial HF energy E: -1.291954640 Ha •Initial RMS(FDS-SDF): 0.072676830 •Convergence Threshold of E: 1.0e-9 Ha •Convergence Threshold Ratios of (FDS-SDF, D) to E: (1000.0, 1000.0) •Oscillatory Convergence Threshold: 5.0e-6 •Maximum Number of Iterations Allowed: 200 Self-Consistent Field (SCF) Iteration: =================================================================== | Step | E (Ha) | ΔE (Ha) | RMS(FDS-SDF) | RMS(ΔD) |======|==============|==============|==============|============== |–––––<1>–[:DD, (dampStrength=0.75)] | 1 | -1.532615785 | -0.240661146 | 0.021073836 | 0.352886365 | 2 | -1.544511711 | -0.011895925 | 0.003993038 | 0.053833078 | 3 | -1.545189385 | -0.000677674 | 0.002095018 | 0.009893570 |–––––<2>–[:ADIIS, (resetThreshold=4.0e-13, DIISsize=15, solver=:LBFGS)] | 4 | -1.545309673 | -0.000120287 | 0.002040948 | 0.002056079 | 5 | -1.545339136 | -2.94633e-05 | 0.001982555 | 0.001633356 |–––––<3>–[:DIIS, (resetThreshold=4.0e-13, DIISsize=15, solver=:LBFGS)] | 6 | -1.545312552 | 2.65842e-05 | 0.002438354 | 0.001548272 | 7 | -1.545434382 | -0.000121830 | 0.001918204 | 0.002601718 | 8 | -1.545451628 | -1.72460e-05 | 0.003372691 | 0.006023055 | 9 | -1.545482415 | -3.07872e-05 | 0.001848219 | 0.002382426 | 10 | -1.545511728 | -2.93132e-05 | 0.002001356 | 0.000563479 | 11 | -1.545576064 | -6.43359e-05 | 0.001656817 | 0.001907500 | 12 | -1.545620231 | -4.41671e-05 | 0.002106067 | 0.004098055 | 13 | -1.545625688 | -5.45623e-06 | 0.001570863 | 0.001261261 | 14 | -1.545638242 | -1.25539e-05 | 0.001514126 | 0.000613596 | 15 | -1.545681855 | -4.36134e-05 | 0.001408823 | 0.001387387 | 16 | -1.545705466 | -2.36110e-05 | 0.002183118 | 0.003849806 | 17 | -1.545709734 | -4.26760e-06 | 0.001354432 | 0.001745626 | 18 | -1.545710070 | -3.35978e-07 | 0.001733017 | 0.001274127 | 19 | -1.545749858 | -3.97881e-05 | 0.001236626 | 0.001882537 | 20 | -1.545772836 | -2.29783e-05 | 0.001829370 | 0.003190956 | 21 | -1.545780461 | -7.62479e-06 | 0.001160411 | 0.001700951 | 22 | -1.545785333 | -4.87198e-06 | 0.001240528 | 0.001028321 | 23 | -1.545809516 | -2.41832e-05 | 0.001050380 | 0.001115468 | 24 | -1.545784371 | 2.51451e-05 | 0.003222268 | 0.005233440 | 25 | -1.545824036 | -3.96652e-05 | 0.001026723 | 0.004277366 | 26 | -1.545820359 | 3.67743e-06 | 0.002001675 | 0.002807511 | 27 | -1.545847042 | -2.66837e-05 | 0.000940189 | 0.002027446 | 28 | -1.545707951 | 0.000139091 | 0.003488877 | 0.004153997 | 29 | -1.545868350 | -0.000160399 | 0.001129194 | 0.003417206 | 30 | -1.545748348 | 0.000120002 | 0.002253465 | 0.001905417 | 31 | -1.545784017 | -3.56690e-05 | 0.002797666 | 0.007297742 | 32 | -1.545817976 | -3.39588e-05 | 0.001929051 | 0.001192926 | 33 | -1.545837056 | -1.90802e-05 | 0.001112001 | 0.001002018 | 34 | -1.545851357 | -1.43007e-05 | 0.000929149 | 0.000824012 | 35 | -1.545854853 | -3.49649e-06 | 0.000920425 | 0.000198295 | 36 | -1.545858614 | -3.76073e-06 | 0.000905422 | 0.000156234 | 37 | -1.545863657 | -5.04361e-06 | 0.000876083 | 6.33955e-05 | 38 | -1.545858958 | 4.69961e-06 | 0.000900914 | 0.000969157 | 39 | -1.545872033 | -1.30755e-05 | 0.000839571 | 0.000899484 | 40 | -1.545788379 | 8.36544e-05 | 0.002361849 | 0.003811111 | 41 | -1.545873055 | -8.46758e-05 | 0.000825158 | 0.004234440 | 42 | -1.545859197 | 1.38577e-05 | 0.001259003 | 0.000918116 | 43 | -1.545871534 | -1.23364e-05 | 0.000832242 | 0.000666014 | 44 | -1.545874232 | -2.69851e-06 | 0.000835375 | 0.000240631 | 45 | -1.545877055 | -2.82339e-06 | 0.000819848 | 6.51803e-05 | 46 | -1.545879773 | -2.71788e-06 | 0.000806896 | 9.22501e-05 | 47 | -1.545876132 | 3.64094e-06 | 0.000837908 | 0.000864815 | 48 | -1.545884914 | -8.78171e-06 | 0.000783752 | 0.000804433 | 49 | -1.545843244 | 4.16703e-05 | 0.001594499 | 0.002884088 | 50 | -1.545887588 | -4.43445e-05 | 0.000768978 | 0.003000760 | 51 | -1.545882778 | 4.81041e-06 | 0.001112969 | 0.000839192 | 52 | -1.545888322 | -5.54394e-06 | 0.000778466 | 0.001108657 | 53 | -1.545891689 | -3.36707e-06 | 0.000755950 | 0.000485127 | 54 | -1.545900785 | -9.09637e-06 | 0.000711748 | 0.000556976 | 55 | -1.545888511 | 1.22742e-05 | 0.002187407 | 0.003481377 | 56 | -1.545905085 | -1.65738e-05 | 0.000707642 | 0.002801101 | 57 | -1.545900802 | 4.28246e-06 | 0.001484509 | 0.001960950 | 58 | -1.545915525 | -1.47224e-05 | 0.000659257 | 0.001724486 | 59 | -1.545912646 | 2.87861e-06 | 0.000806352 | 0.000794547 | 60 | -1.545923824 | -1.11781e-05 | 0.000603178 | 0.001062111 | 61 | -1.545923143 | 6.81729e-07 | 0.001369992 | 0.002177781 | 62 | -1.545929685 | -6.54211e-06 | 0.000576361 | 0.001386400 | 63 | -1.545929392 | 2.92851e-07 | 0.000876357 | 0.000774415 | 64 | -1.545937418 | -8.02621e-06 | 0.000529295 | 0.000943551 | 65 | -1.545941931 | -4.51343e-06 | 0.000914751 | 0.001598174 | 66 | -1.545944331 | -2.39972e-06 | 0.000495316 | 0.001041796 | 67 | -1.545945800 | -1.46910e-06 | 0.000541649 | 0.000608806 | 68 | -1.545949592 | -3.79182e-06 | 0.000448706 | 0.000414416 | 69 | -1.545902611 | 4.69806e-05 | 0.001964265 | 0.002451510 | 70 | -1.545952819 | -5.02074e-05 | 0.000424728 | 0.002855353 | 71 | -1.545939745 | 1.30734e-05 | 0.001150249 | 0.001536350 | 72 | -1.545948796 | -9.05035e-06 | 0.000576926 | 0.000745928 | 73 | -1.545950373 | -1.57696e-06 | 0.000455461 | 0.000252032 | 74 | -1.545951478 | -1.10521e-06 | 0.000441244 | 9.06949e-05 | 75 | -1.545952416 | -9.37652e-07 | 0.000435320 | 0.000103595 | 76 | -1.545952940 | -5.23918e-07 | 0.000436550 | 0.000180281 | 77 | -1.545954221 | -1.28097e-06 | 0.000419337 | 9.91800e-05 | 78 | -1.545951272 | 2.94839e-06 | 0.000445009 | 0.000876906 | 79 | -1.545956614 | -5.34200e-06 | 0.000399870 | 0.000735281 | 80 | -1.545953371 | 3.24329e-06 | 0.000424961 | 0.000540445 | 81 | -1.545957236 | -3.86490e-06 | 0.000390478 | 0.000727927 | 82 | -1.545958255 | -1.01930e-06 | 0.000381033 | 0.000139936 | 83 | -1.545957006 | 1.24933e-06 | 0.000500902 | 0.000259205 | 84 | -1.545961452 | -4.44599e-06 | 0.000355526 | 0.000666954 | 85 | -1.545962763 | -1.31112e-06 | 0.000350170 | 0.000538690 | 86 | -1.545963281 | -5.18309e-07 | 0.000342981 | 5.34943e-05 | 87 | -1.545963449 | -1.67747e-07 | 0.000340312 | 2.02245e-05 | 88 | -1.545963648 | -1.99576e-07 | 0.000338925 | 1.71297e-05 | 89 | -1.545963892 | -2.43208e-07 | 0.000336671 | 4.67196e-06 | 90 | -1.545963156 | 7.35545e-07 | 0.000349438 | 0.000414483 | 91 | -1.545964430 | -1.27343e-06 | 0.000332229 | 0.000390268 | 92 | -1.545964524 | -9.39735e-08 | 0.000332614 | 0.000476594 | 93 | -1.545967578 | -3.05486e-06 | 0.000297446 | 0.000228419 | 94 | -1.545967003 | 5.75014e-07 | 0.000440517 | 0.000310713 | 95 | -1.545969520 | -2.51654e-06 | 0.000279263 | 0.000582865 | 96 | -1.545970810 | -1.28965e-06 | 0.000265629 | 0.000382112 | 97 | -1.545971276 | -4.66281e-07 | 0.000262107 | 2.49192e-05 | 98 | -1.545971431 | -1.55004e-07 | 0.000259817 | 1.11457e-05 | 99 | -1.545972853 | -1.42245e-06 | 0.000241272 | 0.000256148 | 100 | -1.545973482 | -6.28275e-07 | 0.000265400 | 0.000448016 | 101 | -1.545973363 | 1.18180e-07 | 0.000235297 | 3.96285e-05 | 102 | -1.545973307 | 5.67108e-08 | 0.000268974 | 5.84170e-05 | 103 | -1.545974687 | -1.37991e-06 | 0.000217669 | 0.000331350 | 104 | -1.545975235 | -5.48251e-07 | 0.000208610 | 0.000329137 | 105 | -1.545975347 | -1.11895e-07 | 0.000208401 | 1.96186e-05 | 106 | -1.545976287 | -9.40622e-07 | 0.000193495 | 0.000223651 | 107 | -1.545976704 | -4.16643e-07 | 0.000193620 | 0.000325008 | 108 | -1.545976654 | 4.96349e-08 | 0.000188007 | 1.35027e-05 | 109 | -1.545977527 | -8.72321e-07 | 0.000173064 | 0.000249254 | 110 | -1.545977796 | -2.69307e-07 | 0.000167796 | 0.000230087 | 111 | -1.545977796 | 1.63993e-10 | 0.000168170 | 1.83432e-05 | 112 | -1.545978439 | -6.42695e-07 | 0.000155869 | 0.000193217 | 113 | -1.545978692 | -2.53508e-07 | 0.000154302 | 0.000244388 | 114 | -1.545978672 | 2.04316e-08 | 0.000152103 | 1.27610e-05 | 115 | -1.545979236 | -5.64584e-07 | 0.000140570 | 0.000197561 | 116 | -1.545979422 | -1.85939e-07 | 0.000136130 | 0.000197220 | 117 | -1.545979419 | 3.24280e-09 | 0.000136589 | 1.33978e-05 | 118 | -1.545979860 | -4.41344e-07 | 0.000126922 | 0.000151810 | 119 | -1.545980015 | -1.54673e-07 | 0.000130773 | 0.000217007 | 120 | -1.545980007 | 7.88128e-09 | 0.000123272 | 8.83516e-06 | 121 | -1.545980005 | 2.18462e-09 | 0.000128282 | 1.02061e-05 | 122 | -1.545980373 | -3.67821e-07 | 0.000114338 | 0.000159903 | 123 | -1.545980511 | -1.38130e-07 | 0.000110239 | 0.000173550 | 124 | -1.545980519 | -8.51730e-09 | 0.000109982 | 4.30654e-06 | 125 | -1.545980798 | -2.78315e-07 | 0.000101834 | 0.000129006 | 126 | -1.545980906 | -1.08285e-07 | 9.90567e-05 | 0.000154717 | 127 | -1.545980900 | 5.72098e-09 | 0.000100287 | 8.07683e-06 | 128 | -1.545981135 | -2.35229e-07 | 9.14612e-05 | 0.000127273 | 129 | -1.545981221 | -8.58740e-08 | 8.87202e-05 | 0.000130086 | 130 | -1.545981222 | -9.74214e-10 | 8.92403e-05 | 1.67671e-05 | 131 | -1.545981409 | -1.87058e-07 | 8.28278e-05 | 0.000108982 | 132 | -1.545981483 | -7.35452e-08 | 8.25143e-05 | 0.000135618 | 133 | -1.545981481 | 2.12115e-09 | 8.12101e-05 | 1.78176e-06 | 134 | -1.545981638 | -1.57531e-07 | 7.38910e-05 | 9.98854e-05 | 135 | -1.545981696 | -5.79002e-08 | 7.11813e-05 | 0.000104772 | 136 | -1.545981763 | -6.69710e-08 | 6.86832e-05 | 3.70035e-05 | 137 | -1.545981479 | 2.83822e-07 | 0.000139656 | 0.000147804 | 138 | -1.545981828 | -3.48542e-07 | 6.60295e-05 | 0.000219986 | 139 | -1.545981786 | 4.20836e-08 | 8.85580e-05 | 0.000103953 | 140 | -1.545981837 | -5.10015e-08 | 6.59836e-05 | 3.94673e-05 | 141 | -1.545981850 | -1.29627e-08 | 6.61564e-05 | 9.12930e-06 | 142 | -1.545981864 | -1.38972e-08 | 6.53720e-05 | 3.72114e-06 | 143 | -1.545981878 | -1.44554e-08 | 6.46717e-05 | 6.03265e-06 | 144 | -1.545981869 | 8.80429e-09 | 6.63453e-05 | 5.56167e-05 | 145 | -1.545981909 | -3.99473e-08 | 6.32009e-05 | 4.72050e-05 | 146 | -1.545981868 | 4.10092e-08 | 6.46301e-05 | 0.000119880 | 147 | -1.545981974 | -1.05493e-07 | 6.02129e-05 | 8.17454e-05 | 148 | -1.545981947 | 2.71431e-08 | 6.18567e-05 | 2.89148e-05 | 149 | -1.545981963 | -1.63975e-08 | 5.94977e-05 | 8.14587e-05 | 150 | -1.545982024 | -6.14420e-08 | 5.71068e-05 | 4.07025e-05 | 151 | -1.545981861 | 1.63181e-07 | 9.83175e-05 | 0.000111745 | 152 | -1.545982054 | -1.92786e-07 | 5.51297e-05 | 0.000169713 | 153 | -1.545982039 | 1.48222e-08 | 6.33089e-05 | 6.02621e-05 | 154 | -1.545982064 | -2.44232e-08 | 5.48449e-05 | 2.10948e-05 | 155 | -1.545982070 | -6.71651e-09 | 5.48809e-05 | 5.30233e-06 | 156 | -1.545982078 | -7.32108e-09 | 5.44565e-05 | 2.82857e-06 | 157 | -1.545982086 | -8.56561e-09 | 5.38964e-05 | 1.94740e-06 | 158 | -1.545982069 | 1.68080e-08 | 5.59835e-05 | 6.25456e-05 | 159 | -1.545982105 | -3.53498e-08 | 5.28997e-05 | 5.67948e-05 | 160 | -1.545982088 | 1.67392e-08 | 5.38541e-05 | 8.78040e-05 | 161 | -1.545982164 | -7.56440e-08 | 4.96304e-05 | 3.34428e-05 | 162 | -1.545982141 | 2.23589e-08 | 5.10933e-05 | 4.05101e-06 | 163 | -1.545982117 | 2.43209e-08 | 6.28525e-05 | 8.82399e-05 | 164 | -1.545982189 | -7.19491e-08 | 4.76492e-05 | 7.55208e-05 | 165 | -1.545981364 | 8.25240e-07 | 0.000261405 | 0.000365316 | 166 | -1.545982214 | -8.50212e-07 | 4.57744e-05 | 0.000395552 | 167 | -1.545981974 | 2.39739e-07 | 0.000151825 | 0.000190218 | 168 | -1.545982129 | -1.54372e-07 | 8.02497e-05 | 9.26791e-05 | 169 | -1.545982158 | -2.96424e-08 | 5.13931e-05 | 4.65635e-05 | 170 | -1.545982173 | -1.50491e-08 | 4.94306e-05 | 1.33915e-05 | 171 | -1.545982186 | -1.25672e-08 | 4.87555e-05 | 1.27615e-05 | 172 | -1.545982194 | -8.59247e-09 | 4.86260e-05 | 1.65887e-05 | 173 | -1.545982209 | -1.48974e-08 | 4.68487e-05 | 6.20749e-06 | 174 | -1.545982183 | 2.59423e-08 | 4.79694e-05 | 8.83217e-05 | 175 | -1.545982242 | -5.90743e-08 | 4.44645e-05 | 6.78822e-05 | 176 | -1.545982209 | 3.39134e-08 | 4.67989e-05 | 4.98921e-05 | 177 | -1.545982248 | -3.96903e-08 | 4.34265e-05 | 7.74686e-05 | 178 | -1.545982265 | -1.72642e-08 | 4.23732e-05 | 5.57191e-06 | 179 | -1.545982249 | 1.68531e-08 | 4.88317e-05 | 2.68723e-05 | 180 | -1.545982300 | -5.16361e-08 | 3.97507e-05 | 6.78115e-05 | 181 | -1.545982314 | -1.37690e-08 | 4.06458e-05 | 5.94821e-05 | 182 | -1.545982317 | -3.13386e-09 | 3.83711e-05 | 4.53222e-06 | 183 | -1.545982318 | -1.26363e-09 | 3.84213e-05 | 1.02288e-06 | 184 | -1.545982320 | -1.16535e-09 | 3.83670e-05 | 2.53757e-07 | 185 | -1.545982322 | -2.70569e-09 | 3.82192e-05 | 2.08848e-06 | 186 | -1.545982324 | -1.66434e-09 | 3.81250e-05 | 6.83555e-07 | 187 | -1.545982327 | -2.94101e-09 | 3.79527e-05 | 1.90992e-06 | 188 | -1.545982331 | -4.52163e-09 | 3.76753e-05 | 3.71604e-06 | 189 | -1.545982338 | -6.54008e-09 | 3.72823e-05 | 6.13580e-06 | 190 | -1.545982345 | -6.60489e-09 | 3.71683e-05 | 1.84642e-05 | 191 | -1.545982357 | -1.22271e-08 | 3.59602e-05 | 6.29041e-07 | 192 | -1.545982359 | -1.80441e-09 | 3.60125e-05 | 3.58790e-05 | 193 | -1.545982378 | -1.91494e-08 | 3.40473e-05 | 1.93140e-05 | 194 | -1.545982346 | 3.12869e-08 | 3.74576e-05 | 5.51677e-05 | 195 | -1.545982387 | -4.00562e-08 | 3.28685e-05 | 7.20211e-05 | 196 | -1.545982389 | -2.96710e-09 | 3.50727e-05 | 3.12304e-05 | 197 | -1.545982390 | -6.69937e-10 | 3.28037e-05 | 2.88430e-06 | 198 | -1.545982391 | -4.04208e-10 | 3.26748e-05 | 7.11192e-07 | 199 | -1.545982416 | -2.52273e-08 | 2.98677e-05 | 4.12435e-05 | 200 | -1.545982425 | -9.05755e-09 | 2.89261e-05 | 4.52633e-05 The SCF iteration of UOHartreeFock has stopped but not converged at step 200 after 0.218967 second: |ΔE| → 9.05755e-09 Ha, RMS(FDS-SDF) → 2.89261e-05, RMS(ΔD) → 4.52633e-05. Hartree–Fock Energy ¦ Nuclear Repulsion ¦ Total Energy -1.5459824248 Ha 0.4761904762 Ha -1.0697919487 Ha ===== Ab Initio Computation System test finished in 133.483347222 seconds. Testing Code Quality... ┌ Warning: Unable to determine HTML(edit_link = ...) from remote HEAD branch, defaulting to "master". │ Calling `git remote` failed with an exception. Set JULIA_DEBUG=Documenter to see the error. │ Unless this is due to a configuration error, the relevant variable should be set explicitly. └ @ Documenter ~/.julia/packages/Documenter/xvqbW/src/utilities/utilities.jl:680 [ Info: SetupBuildDirectory: setting up build directory. [ Info: Doctest: running doctests. [ Info: Skipped ExpandTemplates step (doctest only). [ Info: Skipped CrossReferences step (doctest only). [ Info: Skipped CheckDocument step (doctest only). [ Info: Skipped Populate step (doctest only). [ Info: Skipped RenderDocument step (doctest only). Code Quality test finished in 142.091792362 seconds. Test Summary: | Pass Fail Total Time Quiqbox tests | 1292 2 1294 33m37.5s Utility Components | 362 362 2m11.9s Core Framework | 115 2 117 17.3s Types.jl | 54 54 0.0s Query.jl | 61 2 63 16.3s Function-Composition System | 227 227 1m32.2s Numerical-Computation System | 73 73 5.3s Basis-Construction System | 58 58 45.9s Differentiation System | 21 21 2.5s Integration System | 356 356 24m06.7s Ab Initio Computation System | 68 68 2m13.5s Code Quality | 12 12 2m22.1s RNG of the outermost testset: Xoshiro(0x60213ab7363555ef, 0x91bce8fc4f1a14f2, 0x5e51b257a9bb1787, 0xe0dc28eef8be6373, 0x12f58feb415fc28d) ERROR: LoadError: Some tests did not pass: 1292 passed, 2 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:4 Testing failed after 2026.09s ERROR: LoadError: Package Quiqbox 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:3067 [3] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:2916 [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/v1.14/Pkg/src/API.jl:572 [5] kwcall(::@NamedTuple{julia_args::Cmd, io::IOContext{IO}}, ::typeof(Pkg.API.test), ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:548 [6] 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 [7] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:161 [8] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [9] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [inlined] [10] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkg::String) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:159 [11] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:237 [12] include(mod::Module, _path::String) @ Base ./Base.jl:309 [13] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [14] _start() @ Base ./client.jl:585 in expression starting at /PkgEval.jl/scripts/evaluate.jl:228 PkgEval failed after 2099.83s: package has test failures