Package evaluation of Molecules on Julia 1.12.0-DEV.1805 (a080deafdd*) started at 2025-03-24T13:57:53.123 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 8.76s ################################################################################ # Installation # Installing Molecules... Resolving package versions... Updating `~/.julia/environments/v1.12/Project.toml` [5de6a177] + Molecules v0.3.0 Updating `~/.julia/environments/v1.12/Manifest.toml` [7d9f7c33] + Accessors v0.1.42 [49dc2e85] + Calculus v0.5.2 [38540f10] + CommonSolve v0.2.4 [a33af91c] + CompositionsBase v0.1.2 [187b0558] + ConstructionBase v1.5.8 [59287772] + Formatting v0.4.3 [3587e190] + InverseFunctions v0.1.17 [1914dd2f] + MacroTools v0.5.15 [eff96d63] + Measurements v2.12.0 [5de6a177] + Molecules v0.3.0 [7b2266bf] + PeriodicTable v1.2.1 [5ad8b20f] + PhysicalConstants v0.2.4 [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [f2b01f46] + Roots v2.2.6 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [1986cc42] + Unitful v1.22.0 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [dc6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.11.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [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 [8dfed614] + Test v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.2.0+0 [4536629a] + OpenBLAS_jll v0.3.28+3 [8e850b90] + libblastrampoline_jll v5.11.2+0 Installation completed after 3.5s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 43.11s ################################################################################ # Testing # Testing Molecules Status `/tmp/jl_ZP5WLF/Project.toml` [59287772] Formatting v0.4.3 [5de6a177] Molecules v0.3.0 [7b2266bf] PeriodicTable v1.2.1 [5ad8b20f] PhysicalConstants v0.2.4 [90137ffa] StaticArrays v1.9.13 [1986cc42] Unitful v1.22.0 [37e2e46d] LinearAlgebra v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_ZP5WLF/Manifest.toml` [7d9f7c33] Accessors v0.1.42 [49dc2e85] Calculus v0.5.2 [38540f10] CommonSolve v0.2.4 [a33af91c] CompositionsBase v0.1.2 [187b0558] ConstructionBase v1.5.8 [59287772] Formatting v0.4.3 [3587e190] InverseFunctions v0.1.17 [1914dd2f] MacroTools v0.5.15 [eff96d63] Measurements v2.12.0 [5de6a177] Molecules v0.3.0 [7b2266bf] PeriodicTable v1.2.1 [5ad8b20f] PhysicalConstants v0.2.4 [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [f2b01f46] Roots v2.2.6 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [1986cc42] Unitful v1.22.0 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [dc6e5ff7] JuliaSyntaxHighlighting v1.12.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.11.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [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 [8dfed614] Test v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.2.0+0 [4536629a] OpenBLAS_jll v0.3.28+3 [8e850b90] libblastrampoline_jll v5.11.2+0 Testing Running tests... SymTools: Test Failed at /home/pkgeval/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 Expression: isapprox(emoit[2], (EMOITs[i])[2], rtol = tol) Evaluated: isapprox([0.8164954692738391 0.5773518413024186 3.0451308141721256e-11; -0.42163317680986045 0.5962769215475039 -0.6831392954903536; -0.39441173013555014 0.5577801396379568 0.7302880958614507], [-0.81649546927384 0.5773518413024179 3.045108609711633e-11; 0.4216331768098601 0.5962769215475041 -0.6831392954903539; 0.3944117301355493 0.5577801396379573 0.7302880958614506]; rtol = 1.0e-5) Stacktrace: [1] top-level scope @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:13 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1724 [inlined] [3] macro expansion @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:679 [inlined] SymTools: Test Failed at /home/pkgeval/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 Expression: isapprox(emoit[2], (EMOITs[i])[2], rtol = tol) Evaluated: isapprox([-0.0 1.0 0.0; -0.9999999999999398 0.0 -3.469452076392561e-7; -3.469452076392561e-7 0.0 0.9999999999999398], [0.0 1.0 0.0; 0.9999999999999398 0.0 -3.4694520763925603e-7; 3.4694520763925603e-7 0.0 0.9999999999999398]; rtol = 1.0e-5) Stacktrace: [1] top-level scope @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:13 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1724 [inlined] [3] macro expansion @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:679 [inlined] SymTools: Test Failed at /home/pkgeval/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 Expression: isapprox(emoit[2], (EMOITs[i])[2], rtol = tol) Evaluated: isapprox([-0.9935987805836436 0.11296664650549094 0.0; 0.11296664650549094 0.9935987805836436 0.0; 0.0 0.0 1.0], [0.9935987805836436 0.1129666465054909 0.0; -0.11296664650549092 0.9935987805836436 0.0; 0.0 0.0 1.0]; rtol = 1.0e-5) Stacktrace: [1] top-level scope @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:13 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1724 [inlined] [3] macro expansion @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:679 [inlined] SymTools: Test Failed at /home/pkgeval/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 Expression: isapprox(emoit[2], (EMOITs[i])[2], rtol = tol) Evaluated: isapprox([0.190510305876284 -0.9816851956482407 0.0; -0.9816851956482407 -0.190510305876284 0.0; 0.0 -0.0 1.0], [-0.19051030587628406 0.9816851956482407 0.0; 0.9816851956482407 0.19051030587628406 0.0; 0.0 0.0 1.0]; rtol = 1.0e-5) Stacktrace: [1] top-level scope @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:13 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1724 [inlined] [3] macro expansion @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:679 [inlined] SymTools: Test Failed at /home/pkgeval/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 Expression: isapprox(emoit[2], (EMOITs[i])[2], rtol = tol) Evaluated: isapprox([-0.03748194117310832 -0.9992973051529238 0.0; -0.9992973051529238 0.03748194117310832 0.0; -0.0 0.0 1.0], [0.03748194117262715 0.9992973051529418 0.0; 0.9992973051529418 -0.03748194117262715 0.0; 0.0 0.0 1.0]; rtol = 1.0e-5) Stacktrace: [1] top-level scope @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:13 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1724 [inlined] [3] macro expansion @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:679 [inlined] SymTools: Test Failed at /home/pkgeval/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 Expression: isapprox(emoit[2], (EMOITs[i])[2], rtol = tol) Evaluated: isapprox([-0.7560109933721357 0.654558918586002 0.0; 0.654558918586002 0.7560109933721357 0.0; 0.0 0.0 1.0], [0.756010993372136 0.654558918586002 0.0; -0.654558918586002 0.756010993372136 0.0; 0.0 0.0 1.0]; rtol = 1.0e-5) Stacktrace: [1] top-level scope @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:13 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1724 [inlined] [3] macro expansion @ ~/.julia/packages/Molecules/guKzY/test/test_sym.jl:27 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:679 [inlined] Test Summary: | Pass Fail Total Time Molecules | 244 6 250 1m11.1s Parsing | 14 14 7.6s Transformations | 23 23 3.5s Properties | 8 8 2.5s SymTools | 44 6 50 11.2s Point Groups | 29 29 2.8s Symmetry | 126 126 38.2s ERROR: LoadError: Some tests did not pass: 244 passed, 6 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/Molecules/guKzY/test/runtests.jl:5 Testing failed after 79.82s ERROR: LoadError: Package Molecules 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{Pkg.Types.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:2359 [3] test @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/Operations.jl:2214 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{Pkg.Types.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:481 [5] test(pkgs::Vector{Pkg.Types.PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:159 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:147 [7] test @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:147 [inlined] [8] #test#81 @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:146 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:219 [10] include(mod::Module, _path::String) @ Base ./Base.jl:300 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:329 [12] _start() @ Base ./client.jl:558 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 172.82s: package has test failures