Package evaluation of CamiXon on Julia 1.13.0-DEV.140 (fac1ce7906*) started at 2025-03-02T11:51:20.005 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 7.94s ################################################################################ # Installation # Installing CamiXon... Resolving package versions... Updating `~/.julia/environments/v1.13/Project.toml` [e90a53f3] + CamiXon v1.8.65 Updating `~/.julia/environments/v1.13/Manifest.toml` [a4c015fc] + ANSIColoredPrinters v0.0.1 [1520ce14] + AbstractTrees v0.4.5 [6e4b80f9] + BenchmarkTools v1.6.0 [2453a446] + CamiDiff v0.0.22 [d302b3f7] + CamiMath v0.1.16 [e90a53f3] + CamiXon v1.8.65 [944b1d66] + CodecZlib v0.7.8 [34da2185] + Compat v4.16.0 [43dc2714] + DocInventories v1.0.0 [ffbed154] + DocStringExtensions v0.9.3 [e30172f5] + Documenter v1.8.1 [d12716ef] + DocumenterInterLinks v1.0.0 [195adf08] + DocumenterInventoryWritingBackport v0.1.0 [d7ba0133] + Git v1.3.1 [b5f81e59] + IOCapture v0.2.5 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [0e77f7df] + LazilyInitializedFields v1.3.0 [d0879d2d] + MarkdownAST v0.1.2 [69de0a69] + Parsers v2.8.1 [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [2792f1a3] + RegistryInstances v0.1.0 [10745b16] + Statistics v1.11.1 [3bb67fe8] + TranscodingStreams v0.11.3 [2e619515] + Expat_jll v2.6.5+0 [f8c6e375] + Git_jll v2.47.1+0 [94ce4f54] + Libiconv_jll v1.18.0+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 [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 v1.12.0 [de0858da] + Printf v1.11.0 [9abbd945] + Profile v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets 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 v8.11.1+1 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2024.12.31 [4536629a] + OpenBLAS_jll v0.3.29+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [efcefdf7] + PCRE2_jll v10.44.0+1 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.12.0+0 [8e850ede] + nghttp2_jll v1.64.0+1 [3f19e933] + p7zip_jll v17.5.0+2 Installation completed after 3.03s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 40.15s ################################################################################ # Testing # Testing CamiXon Status `/tmp/jl_eixITQ/Project.toml` [2453a446] CamiDiff v0.0.22 [d302b3f7] CamiMath v0.1.16 [e90a53f3] CamiXon v1.8.65 [e30172f5] Documenter v1.8.1 [d12716ef] DocumenterInterLinks v1.0.0 [ade2ca70] Dates v1.11.0 [37e2e46d] LinearAlgebra v1.12.0 [de0858da] Printf v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_eixITQ/Manifest.toml` [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [6e4b80f9] BenchmarkTools v1.6.0 [2453a446] CamiDiff v0.0.22 [d302b3f7] CamiMath v0.1.16 [e90a53f3] CamiXon v1.8.65 [944b1d66] CodecZlib v0.7.8 [34da2185] Compat v4.16.0 [43dc2714] DocInventories v1.0.0 [ffbed154] DocStringExtensions v0.9.3 [e30172f5] Documenter v1.8.1 [d12716ef] DocumenterInterLinks v1.0.0 [195adf08] DocumenterInventoryWritingBackport v0.1.0 [d7ba0133] Git v1.3.1 [b5f81e59] IOCapture v0.2.5 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [0e77f7df] LazilyInitializedFields v1.3.0 [d0879d2d] MarkdownAST v0.1.2 [69de0a69] Parsers v2.8.1 [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [2792f1a3] RegistryInstances v0.1.0 [10745b16] Statistics v1.11.1 [3bb67fe8] TranscodingStreams v0.11.3 [2e619515] Expat_jll v2.6.5+0 [f8c6e375] Git_jll v2.47.1+0 [94ce4f54] Libiconv_jll v1.18.0+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 [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 v1.12.0 [de0858da] Printf v1.11.0 [9abbd945] Profile v1.11.0 [3fa0cd96] REPL v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [6462fe0b] Sockets 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 v8.11.1+1 [e37daf67] LibGit2_jll v1.9.0+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2024.12.31 [4536629a] OpenBLAS_jll v0.3.29+0 [458c3c95] OpenSSL_jll v3.0.16+0 [efcefdf7] PCRE2_jll v10.44.0+1 [83775a58] Zlib_jll v1.3.1+2 [8e850b90] libblastrampoline_jll v5.12.0+0 [8e850ede] nghttp2_jll v1.64.0+1 [3f19e933] p7zip_jll v17.5.0+2 Testing Running tests... CamiXon.jl | 132 runtests | runtime 35s (estimated) | start Element created: H, hydrogen, Z=1, weight=1.008 Isotope created: ¹H, hydrogen, Z=1, A=1, N=0, R=0.8783, M=1.007825032, I=1/2⁺, μI=2.792847351, Q=0.0, RA=99.9855%, (stable) Atom: hydrogen, neutral atom symbol: ¹H atomic charge: Z = 1 Rydberg charge: Zc = 1 Atom created: Atom: hydrogen, neutral atom symbol: ¹H atomic charge: Z = 1 Rydberg charge: Zc = 1 Orbital: 2s principal quantum number: n = 2 radial quantum number: n′ = 1 (number of nodes in radial wavefunction) orbital angular momentum of valence electron: ℓ = 0 orbital angular momentum projection of valence electron: mℓ = 0 Spinorbital: 1s↑ principal quantum number: n = 1 radial quantum number: n′ = 0 (number of nodes in radial wavefunction) orbital angular momentum of valence electron: ℓ = 0 orbital angular momentum projection of valence electron: mℓ = 0 spin magnetic quantum number: ms = 1/2 Term created: 1s ²S₁⸝₂; n = 1, n′ = 0, ℓ = 0, S = 1//2, L = 0, J = 1//2 Grid: exponential, Float64, rmax = 85.0, N = 5000, h = 0.002, r0 = 0.0038669 Def created for ¹H:2s on exponential grid of 5000 points --- H9f ------------------------------------------ Grid: exponential, Float64, rmax = 277.5, N = 1300, h = 0.00769231, r0 = 0.0126963 start node search: count = 0,0,1,3,4,6,5 - node search completed initiate ΔE: 5 nodes - init = (-0.0077724671283580723524, -0.0067107723087715979646, -0.0056490774891851235767, 0.000699) adams_moulton_nodes: report for ¹H:9f on exponential grid of 1300 points (using Float64) target of 5 nodes achieved after 6 iterations in 78.063 msec binding energy: E = -0.0067107723087715979646 Hartree absolute precision: ΔE = 0.000698993 Hartree (4.59915 THz) relative precision: ΔE/E = -0.10416 --- adams_moulton_iterate!: resume solution: 5 nodes - init = (-0.0077724671283580723524, -0.0067107723087715979646, -0.0056490774891851235767, 0.000699) upgrade ΔE: 5 nodes - init = (-0.0077724671283580723524, -0.0061728397572159629525, -0.0056490774891851235767, -2.319e-18) adams_moulton_iterate!: report for ¹H:9f on exponential grid of 1300 points (using Float64) reached covergence goal (3.7565063790267566e-16 < ϵ = 1.0e-15) after 8 iterations in 3.60203 msec binding energy: E = -0.0061728397572159629525 Hartree absolute precision: ΔE = -2.31883e-18 Hartree (15.2572 mHz) relative precision: ΔE/E = 3.75651e-16 grid range and special points: rmax = 278.0 a.u.: Na = 6, Nlctp = 806, Nmin = 892, Nuctp = 1226, Nb = 1295, N = 1300, nodes = 5 --- ¹H:[n=30, ℓ=29] ------------------------------------------ Grid: exponential, Float64, rmax = 2325.0, N = 3400, h = 0.00294118, r0 = 0.105871 IOP capture at generalized_laguerre_polynom(59, 59): output converted to BigInt --- H2p ------------------------------------------ --- H2s ------------------------------------------ --- H1s ------------------------------------------ Test Summary: | Pass Total Time CamiXon.jl | 134 134 2m06.0s Testing CamiXon tests passed Testing completed after 143.58s PkgEval succeeded after 207.32s