Package evaluation to test Quante on Julia 1.14.0-DEV.2086 (d19eac062f*) started at 2026-04-28T15:54:18.934 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 15.76s ################################################################################ # Installation # Installing Quante... Resolving package versions... Installed OpenSpecFun_jll ── v0.5.6+0 Installed Statistics ─────── v1.11.1 Installed JLLWrappers ────── v1.7.1 Installed SpecialFunctions ─ v0.10.3 Installed JSON ───────────── v0.21.4 Installed BenchmarkTools ─── v0.5.0 Installed Preferences ────── v1.5.2 Installed Quante ─────────── v0.1.0 Installed Parsers ────────── v2.8.4 Installed PrecompileTools ── v1.3.3 Installing 1 artifacts Installed artifact OpenSpecFun 194.9 KiB Updating `~/.julia/environments/v1.14/Project.toml` [62e6779b] + Quante v0.1.0 Updating `~/.julia/environments/v1.14/Manifest.toml` ⌅ [6e4b80f9] + BenchmarkTools v0.5.0 [692b3bcd] + JLLWrappers v1.7.1 ⌅ [682c06a0] + JSON v0.21.4 [69de0a69] + Parsers v2.8.4 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.2 [62e6779b] + Quante v0.1.0 ⌅ [276daf66] + SpecialFunctions v0.10.3 [10745b16] + Statistics v1.11.1 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.13.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.0.0 [9e88b42a] + Serialization v1.11.0 [1a1011a3] + SharedArrays v1.11.0 [6462fe0b] + Sockets v1.11.0 [f489334b] + StyledStrings v1.13.0 [fa267f1f] + TOML v1.0.3 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.5.1+0 [4536629a] + OpenBLAS_jll v0.3.32+0 [8e850b90] + libblastrampoline_jll v5.15.0+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 To see why use `status --outdated -m` Installation completed after 7.95s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling project... 4.9 s ✓ TestEnv 1 dependency successfully precompiled in 5 seconds. 27 already precompiled. Precompiling package dependencies... Precompiling project... 1.2 s ✓ Statistics 1.4 s ✓ Preferences 1.5 s ✓ JLLWrappers 1.2 s ✓ PrecompileTools 2.2 s ✓ OpenSpecFun_jll 19.1 s ✓ Parsers 4.1 s ✓ SpecialFunctions 4.4 s ✓ JSON 2.6 s ✓ BenchmarkTools 4.3 s ✓ Quante 10 dependencies successfully precompiled in 42 seconds. 16 already precompiled. Precompilation completed after 74.91s ################################################################################ # Testing # Testing Quante Status `/tmp/jl_PdsGVV/Project.toml` ⌅ [6e4b80f9] BenchmarkTools v0.5.0 [62e6779b] Quante v0.1.0 ⌅ [276daf66] SpecialFunctions v0.10.3 [8ba89e20] Distributed v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [1a1011a3] SharedArrays v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_PdsGVV/Manifest.toml` ⌅ [6e4b80f9] BenchmarkTools v0.5.0 [692b3bcd] JLLWrappers v1.7.1 ⌅ [682c06a0] JSON v0.21.4 [69de0a69] Parsers v2.8.4 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.2 [62e6779b] Quante v0.1.0 ⌅ [276daf66] SpecialFunctions v0.10.3 [10745b16] Statistics v1.11.1 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.13.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v1.0.0 [9e88b42a] Serialization v1.11.0 [1a1011a3] SharedArrays v1.11.0 [6462fe0b] Sockets v1.11.0 [f489334b] StyledStrings v1.13.0 [fa267f1f] TOML v1.0.3 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.5.1+0 [4536629a] OpenBLAS_jll v0.3.32+0 [8e850b90] libblastrampoline_jll v5.15.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ┌ Warning: `lgamma(x::Real)` is deprecated, use `(logabsgamma(x))[1]` instead. │ caller = gser(a::Float64, x::Float64, ITMAX::Int64, EPS::Float64) at gamma.jl:27 [inlined] └ @ Quante ~/.julia/packages/Quante/vuQmp/src/gamma.jl:27 ┌ Warning: `lgamma(x::Real)` is deprecated, use `(logabsgamma(x))[1]` instead. │ caller = gcf(a::Float64, x::Float64, ITMAX::Int64, EPS::Float64, FPMIN::Float64) at gamma.jl:46 └ @ Quante ~/.julia/packages/Quante/vuQmp/src/gamma.jl:46 SzaboOstlundReference: Error During Test at /home/pkgeval/.julia/packages/Quante/vuQmp/test/SzaboOstlundReference.jl:8 Got exception outside of a @test ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] isposdef(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [4] eigen!(A::Matrix{Float64}, B::Matrix{Float64}; sortby::Function) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:436 [5] copy_similar(A::Matrix{Float64}, ::Type{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:435 [inlined] [6] eigen(A::Matrix{Float64}, B::SharedArrays.SharedMatrix{Float64}; kws::@Kwargs{}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:520 [7] eigen @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:518 [inlined] [8] rhf(mol::Molecule, MaxIter::Int64; verbose::Bool, Econvergence::Float64) @ Quante ~/.julia/packages/Quante/vuQmp/src/rhf.jl:121 ┌ [9] rhf │ @ ~/.julia/packages/Quante/vuQmp/src/rhf.jl:105 [inlined] ╰──── repeated 2 times [11] macro expansion @ ./timing.jl:739 [inlined] [12] macro expansion @ ~/.julia/packages/Quante/vuQmp/test/SzaboOstlundReference.jl:11 [inlined] [13] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [14] top-level scope @ ~/.julia/packages/Quante/vuQmp/test/SzaboOstlundReference.jl:11 [15] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:327 [16] top-level scope @ ~/.julia/packages/Quante/vuQmp/test/runtests.jl:13 [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [18] macro expansion @ ~/.julia/packages/Quante/vuQmp/test/runtests.jl:13 [inlined] [19] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:327 [20] top-level scope @ none:6 [21] eval(m::Module, e::Any) @ Core ./boot.jl:517 [22] exec_options(opts::Base.JLOptions) @ Base ./client.jl:318 [23] _start() @ Base ./client.jl:593 S: 0.6065306597126335 T: 0.6065306597126335 V: 0.0 -0.8281442160449487 V: 0.25 -0.7990419008379454 V: 0.5 -0.7228383060053438 V: 0.75 -0.6248255535636188 V: 1.0 -0.5287466568645792 Testing simple molecules, sto-3g energy... Building basis 2 basis functions Calculating 1e ints Calculating 2e ints 4.0 ints to calculate. Each '.' is 2.0 ... Quante.jl: Error During Test at /home/pkgeval/.julia/packages/Quante/vuQmp/test/runtests.jl:10 Got exception outside of a @test ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] isposdef(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [4] eigen!(A::Matrix{Float64}, B::Matrix{Float64}; sortby::Function) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:436 [5] copy_similar(A::Matrix{Float64}, ::Type{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:435 [inlined] [6] eigen(A::Matrix{Float64}, B::SharedArrays.SharedMatrix{Float64}; kws::@Kwargs{}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:520 [7] eigen @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/eigen.jl:518 [inlined] [8] rhf(mol::Molecule, MaxIter::Int64; verbose::Bool, Econvergence::Float64) @ Quante ~/.julia/packages/Quante/vuQmp/src/rhf.jl:121 ┌ [9] rhf │ @ ~/.julia/packages/Quante/vuQmp/src/rhf.jl:105 [inlined] ╰──── repeated 2 times [11] getindex(x::Base.Threads.Atomic{Int64}) @ Base.Threads ./timing.jl:739 [inlined] [12] (::var"#test_h2#test_h2##0")() @ Main ~/.julia/packages/Quante/vuQmp/test/runtests.jl:39 [13] top-level scope @ ~/.julia/packages/Quante/vuQmp/test/runtests.jl:13 [14] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [15] macro expansion @ ~/.julia/packages/Quante/vuQmp/test/runtests.jl:54 [inlined] [16] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:327 [17] top-level scope @ none:6 [18] eval(m::Module, e::Any) @ Core ./boot.jl:517 [19] exec_options(opts::Base.JLOptions) @ Base ./client.jl:318 [20] _start() @ Base ./client.jl:593 Test Summary: | Pass Error Total Time Quante.jl | 153 2 155 13m54.9s SzaboOstlundReference | 1 1 12m31.3s test_utils | 7 7 0.1s test_pgbf | 2 2 0.0s test_cgbf | 2 2 0.0s test_overlap | 6 6 0.1s test_kinetic | 4 4 0.0s a_terms | 12 12 0.1s test_gamma | 3 3 0.0s test_na | 3 3 0.0s test_fgamma | 6 6 0.0s test_na2 | 1 1 0.1s test_two_terms | 8 8 0.0s test_coul1 | 2 2 0.0s test_vrr | 38 38 0.4s test_hrr | 38 38 54.3s test_geo_basis | 21 21 0.5s RNG of the outermost testset: Random.Xoshiro(0x04dee88887d8e905, 0x43aa44081e23f097, 0xa911f2509b331b7b, 0x6130fcf409c45935, 0xc58e5ae02ea2b4a4) ERROR: LoadError: Some tests did not pass: 153 passed, 0 failed, 2 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/Quante/vuQmp/test/runtests.jl:10 ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value Testing failed after 846.8s ERROR: LoadError: Package Quante 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:3162 [3] Cmd(cmd::Cmd) @ Base /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:3025 [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:586 [5] 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 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [7] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [inlined] [8] test(pkg::String; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:159 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:223 [10] include(mod::Module, _path::String) @ Base ./Base.jl:326 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:352 [12] _start() @ Base ./client.jl:593 in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 PkgEval failed after 967.79s: package tests unexpectedly errored