Package evaluation of QuantumESPRESSOFormatter on Julia 1.12.0-rc1.2 (995ff9db19*) started at 2025-07-14T17:35:08.249 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 9.11s ################################################################################ # Installation # Installing QuantumESPRESSOFormatter... Resolving package versions... Installed Conda ── v1.10.2 Installed PyCall ─ v1.96.4 Updating `~/.julia/environments/v1.12/Project.toml` [a4e7ca57] + QuantumESPRESSOFormatter v0.4.1 Updating `~/.julia/environments/v1.12/Manifest.toml` [df5135bc] + AbInitioSoftwareBase v0.10.1 [7d9f7c33] + Accessors v0.1.42 [1b8a1bdb] + AnonymousEnums v0.1.1 [34da2185] + Compat v4.17.0 [b5b47461] + ComposableCommands v0.2.0 [a33af91c] + CompositionsBase v0.1.2 [8f4d0f93] + Conda v1.10.2 [5218b696] + Configurations v0.17.6 [187b0558] + ConstructionBase v1.6.0 [93b1d1cd] + CrystallographyBase v0.14.3 [80545937] + CrystallographyCore v0.6.3 [55351af7] + ExproniconLite v0.10.14 [59287772] + Formatting v0.4.3 [3587e190] + InverseFunctions v0.1.17 [ceb4388c] + IsURL v0.2.0 [c8e1da08] + IterTools v1.10.0 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [1914dd2f] + MacroTools v0.5.16 [bac558e1] + OrderedCollections v1.8.1 [69de0a69] + Parsers v2.8.3 [aea7be01] + PrecompileTools v1.3.2 [21216c6a] + Preferences v1.4.3 [438e738f] + PyCall v1.96.4 [e44308e6] + PyFortran90Namelists v0.1.0 [51b62caa] + QuantumESPRESSOBase v0.12.1 [a4e7ca57] + QuantumESPRESSOFormatter v0.4.1 [a780ab42] + QuantumESPRESSOParser v0.5.5 [cbbcb084] + ReadableRegex v0.3.2 [189a3867] + Reexport v1.2.2 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [69024149] + StringEncodings v0.3.7 [6ec83bb0] + StructEquality v2.1.0 [1986cc42] + Unitful v1.23.1 [a7773ee8] + UnitfulAtomic v1.0.0 [da9c4bc3] + UnitfulEquivalences v0.2.0 [81def892] + VersionParsing v1.3.0 [ddb6d928] + YAML v0.4.14 [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 v1.6.0 [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 v1.13.0 [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 [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 v8.11.1+1 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.5.20 [4536629a] + OpenBLAS_jll v0.3.29+0 [458c3c95] + OpenSSL_jll v3.5.1+0 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.13.1+0 [8e850ede] + nghttp2_jll v1.64.0+1 [3f19e933] + p7zip_jll v17.5.0+2 Building Conda ─→ `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/b19db3927f0db4151cb86d073689f2428e524576/build.log` Building PyCall → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/9816a3826b0ebf49ab4926e2b18842ad8b5c8f04/build.log` Installation completed after 58.62s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 46.16s ################################################################################ # Testing # Testing QuantumESPRESSOFormatter Status `/tmp/jl_wIGFVk/Project.toml` [df5135bc] AbInitioSoftwareBase v0.10.1 [93b1d1cd] CrystallographyBase v0.14.3 [59287772] Formatting v0.4.3 [c8e1da08] IterTools v1.10.0 [e44308e6] PyFortran90Namelists v0.1.0 [51b62caa] QuantumESPRESSOBase v0.12.1 [a4e7ca57] QuantumESPRESSOFormatter v0.4.1 [a780ab42] QuantumESPRESSOParser v0.5.5 [09ab397b] StructArrays v0.7.1 [b77e0a4c] InteractiveUtils v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_wIGFVk/Manifest.toml` [df5135bc] AbInitioSoftwareBase v0.10.1 [7d9f7c33] Accessors v0.1.42 [1b8a1bdb] AnonymousEnums v0.1.1 [34da2185] Compat v4.17.0 [b5b47461] ComposableCommands v0.2.0 [a33af91c] CompositionsBase v0.1.2 [8f4d0f93] Conda v1.10.2 [5218b696] Configurations v0.17.6 [187b0558] ConstructionBase v1.6.0 [93b1d1cd] CrystallographyBase v0.14.3 [80545937] CrystallographyCore v0.6.3 [9a962f9c] DataAPI v1.16.0 [e2d170a0] DataValueInterfaces v1.0.0 [55351af7] ExproniconLite v0.10.14 [59287772] Formatting v0.4.3 [3587e190] InverseFunctions v0.1.17 [ceb4388c] IsURL v0.2.0 [c8e1da08] IterTools v1.10.0 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [1914dd2f] MacroTools v0.5.16 [bac558e1] OrderedCollections v1.8.1 [69de0a69] Parsers v2.8.3 [aea7be01] PrecompileTools v1.3.2 [21216c6a] Preferences v1.4.3 [438e738f] PyCall v1.96.4 [e44308e6] PyFortran90Namelists v0.1.0 [51b62caa] QuantumESPRESSOBase v0.12.1 [a4e7ca57] QuantumESPRESSOFormatter v0.4.1 [a780ab42] QuantumESPRESSOParser v0.5.5 [cbbcb084] ReadableRegex v0.3.2 [189a3867] Reexport v1.2.2 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [69024149] StringEncodings v0.3.7 [09ab397b] StructArrays v0.7.1 [6ec83bb0] StructEquality v2.1.0 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [1986cc42] Unitful v1.23.1 [a7773ee8] UnitfulAtomic v1.0.0 [da9c4bc3] UnitfulEquivalences v0.2.0 [81def892] VersionParsing v1.3.0 [ddb6d928] YAML v0.4.14 [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 v1.6.0 [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 v1.13.0 [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 [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 v2025.5.20 [4536629a] OpenBLAS_jll v0.3.29+0 [458c3c95] OpenSSL_jll v3.5.1+0 [83775a58] Zlib_jll v1.3.1+2 [8e850b90] libblastrampoline_jll v5.13.1+0 [8e850ede] nghttp2_jll v1.64.0+1 [3f19e933] p7zip_jll v17.5.0+2 Testing Running tests... Test constructing `AtomicPositionsCard`: Error During Test at /home/pkgeval/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:18 Got exception outside of a @test AssertionError: option in optionpool(AtomicPositionsCard) Stacktrace: [1] QuantumESPRESSOBase.PWscf.AtomicPositionsCard(data::StructArrays.StructVector{QuantumESPRESSOBase.PWscf.AtomicPosition, @NamedTuple{atom::Vector{String}, pos::Vector{Vector{Float64}}, if_pos::Vector{Vector{Int64}}}, Int64}, option::String) @ QuantumESPRESSOBase.PWscf ~/.julia/packages/QuantumESPRESSOBase/eNU93/src/PWscf/cards.jl:168 [2] top-level scope @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:20 [3] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1776 [inlined] [4] macro expansion @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:26 [inlined] [5] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:306 [6] top-level scope @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/runtests.jl:5 [7] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1776 [inlined] [8] macro expansion @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/runtests.jl:5 [inlined] [9] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:306 [10] top-level scope @ none:6 [11] eval(m::Module, e::Any) @ Core ./boot.jl:489 [12] exec_options(opts::Base.JLOptions) @ Base ./client.jl:287 [13] _start() @ Base ./client.jl:554 ┌ Warning: pseudopotential file "pseudo/Fe.rel-pbe-kjpaw.UPF" does not exist! └ @ QuantumESPRESSOBase.PWscf ~/.julia/packages/QuantumESPRESSOBase/eNU93/src/PWscf/inputs.jl:63 [ Info: Every entry in the namelist is the default value! [ Info: Every entry in the namelist is the default value! [ Info: Every entry in the namelist is the default value! [ Info: Every entry in the namelist is the default value! Test `format_text`: Test Failed at /home/pkgeval/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:68 Expression: format_text(str) == "&CONTROL\n outdir = 'tmp/'\n prefix = 'Fe'\n pseudo_dir = 'pseudo/'\n/\n&SYSTEM\n ibrav = 3\n celldm(1) = 5.42\n nat = 1\n ntyp = 1\n starting_magnetization(1) = 0.5\n ecutwfc = 45.0\n ecutrho = 300.0\n ecutfock = 300.0\n nr1 = 27\n nr2 = 27\n nr3 = 27\n occupations = 'smearing'\n degauss = 0.04\n smearing = 'mp'\n noncolin = .true.\n lspinorb = .true.\n/\n&ELECTRONS\n conv_thr = 1.0e-10\n/\n&IONS\n/\n&CELL\n/\nATOMIC_SPECIES\n Fe 0.000000000 Fe.rel-pbe-kjpaw.UPF\nATOMIC_POSITIONS { alat }\n Fe 0.000000000 0.000000000 0.000000000\nK_POINTS { automatic }\n 8 8 8 1 1 1\n\n\n\n\n\n" Evaluated: "&CONTROL\n outdir = 'tmp/'\n prefix = 'Fe'\n pseudo_dir = 'pseudo/'\n/\n&SYSTEM\n ibrav = 3\n celldm(1) = 5.42\n nat = 1\n ntyp = 1\n starting_magnetization(1) = 0.5\n ecutwfc = 45.0\n ecutrho = 300.0\n ecutfock = 300.0\n nr1 = 27\n nr2 = 27\n nr3 = 27\n occupations = 'smearing'\n degauss = 0.04\n smearing = 'mp'\n noncolin = .true.\n lspinorb = .true.\n/\n&ELECTRONS\n conv_thr = 1.0e-10\n/\n&IONS\n/\n&CELL\n/\n&FCP\n/\n&RISM\n/\nATOMIC_SPECIES\n Fe 0.000000000 Fe.rel-pbe-kjpaw.UPF\nATOMIC_POSITIONS { alat }\n Fe 0.000000000 0.000000000 0.000000000\nK_POINTS { automatic }\n 8 8 8 1 1 1\n\n\n\n\n\n\n\n\n\n" == "&CONTROL\n outdir = 'tmp/'\n prefix = 'Fe'\n pseudo_dir = 'pseudo/'\n/\n&SYSTEM\n ibrav = 3\n celldm(1) = 5.42\n nat = 1\n ntyp = 1\n starting_magnetization(1) = 0.5\n ecutwfc = 45.0\n ecutrho = 300.0\n ecutfock = 300.0\n nr1 = 27\n nr2 = 27\n nr3 = 27\n occupations = 'smearing'\n degauss = 0.04\n smearing = 'mp'\n noncolin = .true.\n lspinorb = .true.\n/\n&ELECTRONS\n conv_thr = 1.0e-10\n/\n&IONS\n/\n&CELL\n/\nATOMIC_SPECIES\n Fe 0.000000000 Fe.rel-pbe-kjpaw.UPF\nATOMIC_POSITIONS { alat }\n Fe 0.000000000 0.000000000 0.000000000\nK_POINTS { automatic }\n 8 8 8 1 1 1\n\n\n\n\n\n" Stacktrace: [1] top-level scope @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:35 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1776 [inlined] [3] macro expansion @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:68 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:680 [inlined] ┌ Warning: pseudopotential file "pseudo/Si.pbe-rrkj.UPF" does not exist! └ @ QuantumESPRESSOBase.PWscf ~/.julia/packages/QuantumESPRESSOBase/eNU93/src/PWscf/inputs.jl:63 [ Info: Every entry in the namelist is the default value! [ Info: Every entry in the namelist is the default value! [ Info: Every entry in the namelist is the default value! [ Info: Every entry in the namelist is the default value! Test `format_file`: Error During Test at /home/pkgeval/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:73 Got exception outside of a @test SystemError: opening file "si.scf.efield.in": Permission denied Stacktrace: [1] systemerror(p::String, errno::Int32; extrainfo::Nothing) @ Base ./error.jl:186 [2] open(fname::String; lock::Bool, read::Nothing, write::Nothing, create::Nothing, truncate::Bool, append::Nothing) @ Base ./iostream.jl:317 [3] open @ ./iostream.jl:296 [inlined] [4] open(fname::String, mode::String; lock::Bool) @ Base ./iostream.jl:380 [5] open(fname::String, mode::String) @ Base ./iostream.jl:379 [6] open(::QuantumESPRESSOFormatter.PWscf.var"#12#13"{String}, ::String, ::Vararg{String}; kwargs::@Kwargs{}) @ Base ./io.jl:408 [7] open @ ./io.jl:407 [inlined] [8] #format_file#10 @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/src/PWscf.jl:156 [inlined] [9] format_file(filename::String) @ QuantumESPRESSOFormatter.PWscf ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/src/PWscf.jl:152 [10] top-level scope @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:74 [11] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1776 [inlined] [12] macro expansion @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/PWscf.jl:75 [inlined] [13] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:306 [14] top-level scope @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/runtests.jl:5 [15] macro expansion @ /opt/julia/share/julia/stdlib/v1.12/Test/src/Test.jl:1776 [inlined] [16] macro expansion @ ~/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/runtests.jl:5 [inlined] [17] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:306 [18] top-level scope @ none:6 [19] eval(m::Module, e::Any) @ Core ./boot.jl:489 [20] exec_options(opts::Base.JLOptions) @ Base ./client.jl:287 [21] _start() @ Base ./client.jl:554 Test Summary: | Pass Fail Error Total Time QuantumESPRESSOFormatter.jl | 1 1 2 4 42.4s Test constructing `AtomicSpeciesCard` | 1 1 6.3s Test constructing `AtomicPositionsCard` | 1 1 4.3s Test `format_text` | 1 1 29.7s Test `format_file` | 1 1 0.6s RNG of the outermost testset: Random.Xoshiro(0xf4391132f3f278a4, 0xf3706c473d177a36, 0x2992dc01470e9592, 0xc7b29a0aa353b783, 0x144ad85985cbd7b5) ERROR: LoadError: Some tests did not pass: 1 passed, 1 failed, 2 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/QuantumESPRESSOFormatter/PP4bu/test/runtests.jl:4 Testing failed after 67.45s ERROR: LoadError: Package QuantumESPRESSOFormatter 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{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:2458 [3] test @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/Operations.jl:2313 [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/v1.12/Pkg/src/API.jl:511 [5] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:164 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:152 [7] test @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:152 [inlined] [8] #test#81 @ /opt/julia/share/julia/stdlib/v1.12/Pkg/src/API.jl:151 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:219 [10] include(mod::Module, _path::String) @ Base ./Base.jl:305 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:321 [12] _start() @ Base ./client.jl:554 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 200.85s: package tests unexpectedly errored