Package evaluation of DrelTools on Julia 1.10.8 (92f03a4775*) started at 2025-02-25T08:03:04.810 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 4.74s ################################################################################ # Installation # Installing DrelTools... Resolving package versions... Installed DrelTools ─ v0.3.0 Updating `~/.julia/environments/v1.10/Project.toml` [fc805444] + DrelTools v0.3.0 Updating `~/.julia/environments/v1.10/Manifest.toml` [34da2185] + Compat v4.16.0 [a8cc5b0e] + Crayons v4.1.1 ⌅ [6007d9b0] + CrystalInfoFramework v0.6.3 [9a962f9c] + DataAPI v1.16.0 [a93c6f00] + DataFrames v1.7.0 [864edb3b] + DataStructures v0.18.20 [e2d170a0] + DataValueInterfaces v1.0.0 [fc805444] + DrelTools v0.3.0 [8fc22ac5] + FilePaths v0.8.3 [48062228] + FilePathsBase v0.9.23 [842dd82b] + InlineStrings v1.4.3 [41ab1584] + InvertedIndices v1.3.1 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.0 [b964fa9f] + LaTeXStrings v1.4.0 [d42ef402] + Lerche v0.5.6 [1914dd2f] + MacroTools v0.5.15 [e1d29d7a] + Missings v1.2.0 [bac558e1] + OrderedCollections v1.8.0 [2dfb63ee] + PooledArrays v1.4.3 [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [08abe8d2] + PrettyTables v2.4.0 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.0 [6c6a2e73] + Scratch v1.2.1 [91c51154] + SentinelArrays v1.4.8 [a2af1166] + SortingAlgorithms v1.2.1 [892a3eda] + StringManipulation v0.4.1 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.0 [5c2747f8] + URIs v1.5.1 ⌅ [a51ab1cf] + ICU_jll v69.1.0+0 [76ed43ae] + SQLite_jll v3.48.0+0 [6fcef0ae] + cif_api_jll v0.4.2+0 [0dad84c5] + ArgTools v1.1.1 [56f22d72] + Artifacts [2a0f44e3] + Base64 [ade2ca70] + Dates [f43a241f] + Downloads v1.6.0 [7b1f6079] + FileWatching [9fa8497b] + Future [b77e0a4c] + InteractiveUtils [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 [8f399da3] + Libdl [37e2e46d] + LinearAlgebra [56ddb016] + Logging [d6f4376e] + Markdown [ca575930] + NetworkOptions v1.2.0 [44cfe95a] + Pkg v1.10.0 [de0858da] + Printf [3fa0cd96] + REPL [9a3f8284] + Random [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization [6462fe0b] + Sockets [2f01184e] + SparseArrays v1.10.0 [10745b16] + Statistics v1.10.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs [4ec0a83e] + Unicode [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] + LibCURL_jll v8.4.0+0 [e37daf67] + LibGit2_jll v1.6.4+0 [29816b5a] + LibSSH2_jll v1.11.0+1 [c8ffd9c3] + MbedTLS_jll v2.28.2+1 [14a3606d] + MozillaCACerts_jll v2023.1.10 [4536629a] + OpenBLAS_jll v0.3.23+4 [bea87d4a] + SuiteSparse_jll v7.2.1+1 [83775a58] + Zlib_jll v1.2.13+1 [8e850b90] + libblastrampoline_jll v5.11.0+0 [8e850ede] + nghttp2_jll v1.52.0+1 [3f19e933] + p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Building DrelTools → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/c4212f2adcc7a03f6e3b153bd6342065f9a71942/build.log` Installation completed after 54.65s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 81.94s ################################################################################ # Testing # Testing DrelTools Status `/tmp/jl_gn2HOn/Project.toml` ⌅ [6007d9b0] CrystalInfoFramework v0.6.3 [a93c6f00] DataFrames v1.7.0 [fc805444] DrelTools v0.3.0 [8fc22ac5] FilePaths v0.8.3 [d42ef402] Lerche v0.5.6 [1914dd2f] MacroTools v0.5.15 [6c6a2e73] Scratch v1.2.1 [37e2e46d] LinearAlgebra [9e88b42a] Serialization [8dfed614] Test Status `/tmp/jl_gn2HOn/Manifest.toml` [34da2185] Compat v4.16.0 [a8cc5b0e] Crayons v4.1.1 ⌅ [6007d9b0] CrystalInfoFramework v0.6.3 [9a962f9c] DataAPI v1.16.0 [a93c6f00] DataFrames v1.7.0 [864edb3b] DataStructures v0.18.20 [e2d170a0] DataValueInterfaces v1.0.0 [fc805444] DrelTools v0.3.0 [8fc22ac5] FilePaths v0.8.3 [48062228] FilePathsBase v0.9.23 [842dd82b] InlineStrings v1.4.3 [41ab1584] InvertedIndices v1.3.1 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [b964fa9f] LaTeXStrings v1.4.0 [d42ef402] Lerche v0.5.6 [1914dd2f] MacroTools v0.5.15 [e1d29d7a] Missings v1.2.0 [bac558e1] OrderedCollections v1.8.0 [2dfb63ee] PooledArrays v1.4.3 [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [08abe8d2] PrettyTables v2.4.0 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.0 [6c6a2e73] Scratch v1.2.1 [91c51154] SentinelArrays v1.4.8 [a2af1166] SortingAlgorithms v1.2.1 [892a3eda] StringManipulation v0.4.1 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.0 [5c2747f8] URIs v1.5.1 ⌅ [a51ab1cf] ICU_jll v69.1.0+0 [76ed43ae] SQLite_jll v3.48.0+0 [6fcef0ae] cif_api_jll v0.4.2+0 [0dad84c5] ArgTools v1.1.1 [56f22d72] Artifacts [2a0f44e3] Base64 [ade2ca70] Dates [f43a241f] Downloads v1.6.0 [7b1f6079] FileWatching [9fa8497b] Future [b77e0a4c] InteractiveUtils [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 [8f399da3] Libdl [37e2e46d] LinearAlgebra [56ddb016] Logging [d6f4376e] Markdown [ca575930] NetworkOptions v1.2.0 [44cfe95a] Pkg v1.10.0 [de0858da] Printf [3fa0cd96] REPL [9a3f8284] Random [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization [6462fe0b] Sockets [2f01184e] SparseArrays v1.10.0 [10745b16] Statistics v1.10.0 [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test [cf7118a7] UUIDs [4ec0a83e] Unicode [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] LibCURL_jll v8.4.0+0 [e37daf67] LibGit2_jll v1.6.4+0 [29816b5a] LibSSH2_jll v1.11.0+1 [c8ffd9c3] MbedTLS_jll v2.28.2+1 [14a3606d] MozillaCACerts_jll v2023.1.10 [4536629a] OpenBLAS_jll v0.3.23+4 [bea87d4a] SuiteSparse_jll v7.2.1+1 [83775a58] Zlib_jll v1.2.13+1 [8e850b90] libblastrampoline_jll v5.11.0+0 [8e850ede] nghttp2_jll v1.52.0+1 [3f19e933] p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... WARNING: Method definition (::Type{URIs.URI})(FilePathsBase.AbstractPath) in module FilePaths at /home/pkgeval/.julia/packages/FilePaths/ULnpu/src/uris.jl:5 overwritten in module CrystalInfoFramework at /home/pkgeval/.julia/packages/CrystalInfoFramework/FpKpL/src/ddlm_dictionary_ng.jl:1304. WARNING: Method definition kwcall(NamedTuple{names, T} where T<:Tuple where names, Type{URIs.URI}, FilePathsBase.AbstractPath) in module FilePaths at /home/pkgeval/.julia/packages/FilePaths/ULnpu/src/uris.jl:5 overwritten in module CrystalInfoFramework at /home/pkgeval/.julia/packages/CrystalInfoFramework/FpKpL/src/ddlm_dictionary_ng.jl:1304. cumsum = 0 q = [[1,2],[3,4],[5,6]] for a,b in q { cumsum += a*b } rv.output = cumsum ======== function (__datablock::DynamicRelationalContainer, __packet::CatPacket) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413 =# __dict = missing cumsum = missing q = missing __dreltarget = missing #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:118 =# #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:120 =# begin __dict = get_dictionary(__datablock, "CORE_DIC") begin cumsum = 0 q = [[1, 2], [3, 4], [5, 6]] for (a, b) = q cumsum += a * b end __dreltarget = cumsum end return __dreltarget end end cumsum = 0 q = [[1,2,3,4],[3,4,5,6],[5,6,7,8]] for a,b,c,d in q { cumsum += a*b+c*d } rv.output = cumsum ======== function (__datablock::DynamicRelationalContainer, __packet::CatPacket) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413 =# __dict = missing cumsum = missing q = missing __dreltarget = missing #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:118 =# #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:120 =# begin __dict = get_dictionary(__datablock, "CORE_DIC") begin cumsum = 0 q = [[1, 2, 3, 4], [3, 4, 5, 6], [5, 6, 7, 8]] for (a, b, c, d) = q cumsum += a * b .+ c * d end __dreltarget = cumsum end return __dreltarget end end Test Summary: | Pass Total Time Test compound expressions | 2 2 39.8s 0.5 * (1.0 + 2.0) ======== function (__datablock::DynamicRelationalContainer, __packet::CatPacket) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413 =# __dict = missing __dreltarget = missing #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:118 =# #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:120 =# begin __dict = get_dictionary(__datablock, "CORE_DIC") __dreltarget = 0.5 * (1.0 .+ 2.0) return __dreltarget end end Test Summary: | Pass Total Time Test evaluation of simple expressions | 1 1 0.8s Test Summary: | Pass Total Time Test simple expression processing | 8 8 0.4s ┌ Warning: `delete!(df::DataFrame, inds)` is deprecated, use `deleteat!(df::DataFrame, inds)` instead. │ caller = resolve_templated_imports!(d::Dict{Symbol, DataFrames.DataFrame}, original_dir::PosixPath, cached_dicts::Dict{Any, Any}) at ddlm_dictionary_ng.jl:1516 └ @ CrystalInfoFramework ~/.julia/packages/CrystalInfoFramework/FpKpL/src/ddlm_dictionary_ng.jl:1516 Test Summary: | Pass Total Time Test dynamic relational container type | 3 3 5.8s Test Summary: | Pass Total Time Test construction of empty Set categories | 1 1 13.0s Test Summary: | Pass Total Time Test dynamic set categories | 3 3 3.0s Test Summary: | Pass Total Time Test dynamic loop categories | 1 1 23.0s New text: begin a = [1, 2, 3, 4] #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:4 =# b = a[0 + 1] #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:4 =# return b end New text: begin a = [1, 2, 3, 4, 5, 6, 7, 8, 9] #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:9 =# c = 4 #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:9 =# b = a[(c - 4) + 1:2:c + 4] #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:9 =# return b[2 + 1] end WARNING: Method definition f(Any) in module Main at /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:13 overwritten at /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413. New text: function (x,) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413 =# s = missing i = missing qq = missing a = missing #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# s = 1 #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# for i = 1:5 #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# if i == 3 #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# qq = 1 elseif #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# i == 4 #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# a = qq end #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# end #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:21 =# a end begin __dreltarget = to_julia_array([[1, 2, 3], [4, 5, 6]]) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/expressions.jl:31 =# return __dreltarget end Test Summary: | Pass Total Time Testing complex expression processing | 7 7 27.6s ┌ Warning: Warning: recognising only categories from DDL_TRANS_DIC └ @ DrelTools ~/.julia/packages/DrelTools/CCLCE/src/drel_execution.jl:656 function (__datablock::DynamicRelationalContainer, __packet::CatPacket) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413 =# __dict = missing ddlmѫdictionary_audit = missing latest = missing d = missing __dreltarget = missing #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:118 =# #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:120 =# begin __dict = get_dictionary(__datablock, "ddlm") ddlmѫdictionary_audit = get_packets(get_category(__datablock, "dictionary_audit", "ddlm")) begin latest = "1900-01-01" for d = ddlmѫdictionary_audit if drel_property_access(d, "date", __datablock) > latest latest = drel_property_access(d, "date", __datablock) end end __dreltarget = latest end return __dreltarget end end Test Summary: |Time Test namespace presence | None 6.6s Added implicit value for category_methods.category_id Added implicit value for item_methods.name function (__datablock::DynamicRelationalContainer, __packet::CatPacket) #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/drel_ast.jl:413 =# __dict = missing ce = missing __dreltarget = missing #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:118 =# #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:120 =# begin __dict = get_dictionary(__datablock, "ddl2") begin ce = __packet #= /home/pkgeval/.julia/packages/DrelTools/CCLCE/src/jl_transformer.jl:635 =# begin __dreltarget = drel_property_access(description_example[:master_id => drel_property_access(ce, "id", __datablock), :case => drel_property_access(ce, "case", __datablock)], "detail", __datablock) end end return __dreltarget end end Test Summary: | Time Test dREL processing | None 13.3s WARNING: Method definition setup() in module Main at /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/runtests.jl:15 overwritten at /home/pkgeval/.julia/packages/DrelTools/CCLCE/test/drel_exec.jl:3. ["symop", "seitzfromjones", "closest", "symlat", "symequiv", "symkey", "atomtype"] Test Summary: | Pass Total Time Test dictionary-defined functions | 1 1 0.7s Test Summary: | Pass Total Time Test generation of missing keys | 1 1 6.1s Any[CodeInfo( 1 ── %1 = (isa)(__datablock, DynamicDDLmRC)::Bool └─── goto #7 if not %1 2 ── %3 = π (__datablock, DynamicDDLmRC) │ %4 = Base.getfield(%3, :dict)::Dict{String, AbstractCifDictionary} │ %5 = invoke Base.ht_keyindex(%4::Dict{String, AbstractCifDictionary}, "CifCore"::String)::Int64 │ %6 = Base.slt_int(%5, 0)::Bool └─── goto #4 if not %6 3 ── %8 = %new(Base.KeyError, "CifCore")::KeyError │ Base.throw(%8)::Union{} └─── unreachable 4 ── %11 = Base.getfield(%4, :vals)::Vector{AbstractCifDictionary} │ Base.arrayref(true, %11, %5)::AbstractCifDictionary └─── goto #5 5 ── goto #6 6 ── goto #8 7 ── DrelTools.get_dictionary(__datablock, "CifCore")::AbstractCifDictionary └─── goto #8 8 ┄─ %18 = (isa)(__datablock, DynamicDDLmRC)::Bool └─── goto #10 if not %18 9 ── %20 = π (__datablock, DynamicDDLmRC) │ %21 = invoke DrelTools.find_namespace(%20::DynamicDDLmRC, "atom_type"::String)::String │ %22 = invoke DrelTools.get_category(%20::DynamicDDLmRC, "atom_type"::String, %21::String)::Union{Missing, CifCategory} └─── goto #11 10 ─ %24 = DrelTools.get_category(__datablock, "atom_type")::Union{Missing, CifCategory} └─── goto #11 11 ┄ %26 = φ (#9 => false, #10 => false)::Bool │ %27 = φ (#9 => %22, #10 => %24)::Union{Missing, CifCategory} │ %28 = (isa)(%27, Missing)::Bool └─── goto #13 if not %28 12 ─ %30 = $(Expr(:foreigncall, :(:jl_alloc_array_1d), Vector{Any}, svec(Any, Int64), 0, :(:ccall), Vector{Any}, 0, 0))::Vector{Any} └─── goto #20 13 ─ %32 = (isa)(%27, LoopCategory)::Bool └─── goto #15 if not %32 14 ─ %34 = π (%27, LoopCategory) └─── goto #20 15 ─ %36 = (isa)(%27, SetCategory)::Bool └─── goto #17 if not %36 16 ─ %38 = π (%27, SetCategory) │ %39 = %new(CrystalInfoFramework.DataContainer.CatPacket, 1, %38)::CatPacket └─── goto #20 17 ─ %41 = (isa)(%27, CifCategory)::Bool └─── goto #19 if not %41 18 ─ %43 = $(Expr(:foreigncall, :(:jl_alloc_array_1d), Vector{Any}, svec(Any, Int64), 0, :(:ccall), Vector{Any}, 0, 0))::Vector{Any} └─── goto #20 19 ─ Core.throw(ErrorException("fatal error in type inference (type bound)"))::Union{} └─── unreachable 20 ┄ %47 = φ (#12 => true, #14 => %26, #16 => false, #18 => true)::Bool │ %48 = φ (#12 => %30, #14 => %34, #16 => %39, #18 => %43)::Union{CatPacket, LoopCategory, Vector{Any}} │ %49 = Base.iterate::typeof(iterate) └─── goto #26 if not %47 21 ─ %51 = π (%48, Vector{Any}) │ %52 = Base.bitcast(UInt64, 1)::UInt64 │ %53 = Base.sub_int(%52, 0x0000000000000001)::UInt64 │ %54 = Base.arraylen(%51)::Int64 │ %55 = Base.sle_int(0, %54)::Bool │ %56 = Base.bitcast(UInt64, %54)::UInt64 │ %57 = Base.ult_int(%53, %56)::Bool │ %58 = Base.and_int(%55, %57)::Bool └─── goto #23 if not %58 22 ─ %60 = Base.arrayref(false, %51, 1)::Any │ %61 = Base.add_int(1, 1)::Int64 │ %62 = Core.tuple(%60, %61)::Tuple{Any, Int64} └─── goto #24 23 ─ goto #24 24 ┄ %65 = φ (#22 => %62, #23 => Base.nothing)::Union{Nothing, Tuple{Any, Int64}} └─── goto #25 25 ─ goto #29 26 ─ %68 = (isa)(%48, LoopCategory)::Bool └─── goto #28 if not %68 27 ─ %70 = π (%48, LoopCategory) │ %71 = invoke %49(%70::LoopCategory)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} └─── goto #29 28 ─ %73 = Base.iterate(%48)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} └─── goto #29 29 ┄ %75 = φ (#25 => %65, #27 => %71, #28 => %73)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} │ %76 = (%75 === nothing)::Bool │ %77 = Base.not_int(%76)::Bool └─── goto #32 if not %77 30 ┄ %79 = φ (#29 => %75, #31 => %87)::Any │ %80 = φ (#29 => 0.0, #31 => %86)::Any │ %81 = Core.getfield(%79, 1)::Any │ %82 = Core.getfield(%79, 2)::Any │ %83 = DrelTools.drel_property_access(%81, "number_in_cell", __datablock)::Any │ %84 = DrelTools.drel_property_access(%81, "atomic_mass", __datablock)::Any │ %85 = (%83 * %84)::Any │ %86 = (%80 + %85)::Any │ %87 = Base.iterate(%48, %82)::Any │ %88 = (%87 === nothing)::Bool │ %89 = Base.not_int(%88)::Bool └─── goto #32 if not %89 31 ─ goto #30 32 ┄ %92 = φ (#30 => %86, #29 => 0.0)::Any └─── return %92 ) => Any] Test Summary: | Pass Total Time Test single-step derivation | 1 1 6.7s Test Summary: | Pass Total Time Test multi-step derivation | 1 1 2.7s Test Summary: | Pass Total Time Test matrix multiplication | 1 1 1.3s 0.901029 seconds (5.39 M allocations: 339.434 MiB, 6.25% gc time) 0.020448 seconds (91.84 k allocations: 4.562 MiB) Test Summary: | Pass Total Time Test density | 1 1 1.0s 11.475471 seconds (50.53 M allocations: 2.797 GiB, 3.78% gc time, 4.94% compilation time) [[0.004314228357823332 -0.0012229144412099233 0.005921632195094768; -0.0012229144412099233 0.005183474683224992 -0.002505483245405697; 0.005921632195094768 -0.002505483245405697 0.03507101535344505], [0.004314228357823332 -0.0012229144412099233 0.005224969583907148; -0.0012229144412099233 0.0048693247024234766 -0.0035792617791509953; 0.005224969583907148 -0.0035792617791509953 0.032624200328786095], [0.004909294338212758 -0.00045859291545372125 0.0062699635006885765; -0.0004585929154537213 0.005183474683224992 -0.002505483245405697; 0.006269963500688577 -0.002505483245405697 0.05219872052605775], [0.004165461862725976 0.0 0.0017416565279690494; 0.0 0.005654699654427262 -0.0014317047116603982; 0.0017416565279690494 -0.0014317047116603982 0.018758915189052004], [0.00401669536762862 0.00045859291545372125 0.0010449939167814296; 0.0004585929154537213 0.005026399692824234 -0.002505483245405697; 0.0010449939167814296 -0.002505483245405697 0.028546175287687832], [0.006545725784283677 0.0016815073566636446 0.0010449939167814296; 0.0016815073566636444 0.00644007460643105 -0.0035792617791509953; 0.0010449939167814296 -0.0035792617791509953 0.028546175287687832], [0.00847969022054931 0.002140100272117366 -0.002089987833562859; 0.002140100272117366 0.005340549673625749 -0.0035792617791509953; -0.002089987833562859 -0.0035792617791509953 0.03670222536988435], [0.00847969022054931 0.0016815073566636446 -0.0006966626111876197; 0.0016815073566636444 0.006597149596831807 -0.0035792617791509953; -0.0006966626111876197 -0.0035792617791509953 0.028546175287687832], [0.006545725784283677 0.00045859291545372125 -0.0006966626111876197; 0.0004585929154537213 0.00408394975041969 -0.0017896308895754976; -0.0006966626111876197 -0.0017896308895754976 0.0358866203616647], [0.004314228357823332 0.0007643215257562021 0.002089987833562859; 0.0007643215257562021 0.004398099731221205 -0.0007158523558301991; 0.002089987833562859 -0.0007158523558301991 0.025283755254809224]] Any[CodeInfo( 1 ── %1 = (isa)(__datablock, DynamicDDLmRC)::Bool └─── goto #7 if not %1 2 ── %3 = π (__datablock, DynamicDDLmRC) │ %4 = Base.getfield(%3, :dict)::Dict{String, AbstractCifDictionary} │ %5 = invoke Base.ht_keyindex(%4::Dict{String, AbstractCifDictionary}, "CifCore"::String)::Int64 │ %6 = Base.slt_int(%5, 0)::Bool └─── goto #4 if not %6 3 ── %8 = %new(Base.KeyError, "CifCore")::KeyError │ Base.throw(%8)::Union{} └─── unreachable 4 ── %11 = Base.getfield(%4, :vals)::Vector{AbstractCifDictionary} │ Base.arrayref(true, %11, %5)::AbstractCifDictionary └─── goto #5 5 ── goto #6 6 ── goto #8 7 ── DrelTools.get_dictionary(__datablock, "CifCore")::AbstractCifDictionary └─── goto #8 8 ┄─ %18 = (isa)(__datablock, DynamicDDLmRC)::Bool └─── goto #10 if not %18 9 ── %20 = π (__datablock, DynamicDDLmRC) │ %21 = invoke DrelTools.find_namespace(%20::DynamicDDLmRC, "atom_site_aniso"::String)::String │ %22 = invoke DrelTools.get_category(%20::DynamicDDLmRC, "atom_site_aniso"::String, %21::String)::Union{Missing, CifCategory} └─── goto #11 10 ─ %24 = DrelTools.get_category(__datablock, "atom_site_aniso")::Union{Missing, CifCategory} └─── goto #11 11 ┄ %26 = φ (#9 => false, #10 => false)::Bool │ %27 = φ (#9 => false, #10 => false)::Bool │ %28 = φ (#9 => %22, #10 => %24)::Union{Missing, CifCategory} │ %29 = (isa)(%28, Missing)::Bool └─── goto #13 if not %29 12 ─ %31 = $(Expr(:foreigncall, :(:jl_alloc_array_1d), Vector{Any}, svec(Any, Int64), 0, :(:ccall), Vector{Any}, 0, 0))::Vector{Any} └─── goto #20 13 ─ %33 = (isa)(%28, LoopCategory)::Bool └─── goto #15 if not %33 14 ─ %35 = π (%28, LoopCategory) └─── goto #20 15 ─ %37 = (isa)(%28, SetCategory)::Bool └─── goto #17 if not %37 16 ─ %39 = π (%28, SetCategory) │ %40 = %new(CrystalInfoFramework.DataContainer.CatPacket, 1, %39)::CatPacket └─── goto #20 17 ─ %42 = (isa)(%28, CifCategory)::Bool └─── goto #19 if not %42 18 ─ %44 = $(Expr(:foreigncall, :(:jl_alloc_array_1d), Vector{Any}, svec(Any, Int64), 0, :(:ccall), Vector{Any}, 0, 0))::Vector{Any} └─── goto #20 19 ─ Core.throw(ErrorException("fatal error in type inference (type bound)"))::Union{} └─── unreachable 20 ┄ %48 = φ (#12 => true, #14 => %26, #16 => false, #18 => true)::Bool │ %49 = φ (#12 => true, #14 => %27, #16 => false, #18 => true)::Bool │ %50 = φ (#12 => %31, #14 => %35, #16 => %40, #18 => %44)::Union{CatPacket, LoopCategory, Vector{Any}} │ %51 = (isa)(__datablock, DynamicDDLmRC)::Bool └─── goto #22 if not %51 21 ─ %53 = π (__datablock, DynamicDDLmRC) │ %54 = invoke DrelTools.find_namespace(%53::DynamicDDLmRC, "cell"::String)::String │ %55 = invoke DrelTools.get_category(%53::DynamicDDLmRC, "cell"::String, %54::String)::Union{Missing, CifCategory} └─── goto #23 22 ─ %57 = DrelTools.get_category(__datablock, "cell")::Union{Missing, CifCategory} └─── goto #23 23 ┄ %59 = φ (#21 => %55, #22 => %57)::Union{Missing, CifCategory} │ %60 = (isa)(%59, Missing)::Bool └─── goto #25 if not %60 24 ─ %62 = $(Expr(:foreigncall, :(:jl_alloc_array_1d), Vector{Any}, svec(Any, Int64), 0, :(:ccall), Vector{Any}, 0, 0))::Vector{Any} └─── goto #32 25 ─ %64 = (isa)(%59, LoopCategory)::Bool └─── goto #27 if not %64 26 ─ %66 = π (%59, LoopCategory) └─── goto #32 27 ─ %68 = (isa)(%59, SetCategory)::Bool └─── goto #29 if not %68 28 ─ %70 = π (%59, SetCategory) │ %71 = %new(CrystalInfoFramework.DataContainer.CatPacket, 1, %70)::CatPacket └─── goto #32 29 ─ %73 = (isa)(%59, CifCategory)::Bool └─── goto #31 if not %73 30 ─ %75 = $(Expr(:foreigncall, :(:jl_alloc_array_1d), Vector{Any}, svec(Any, Int64), 0, :(:ccall), Vector{Any}, 0, 0))::Vector{Any} └─── goto #32 31 ─ Core.throw(ErrorException("fatal error in type inference (type bound)"))::Union{} └─── unreachable 32 ┄ %79 = φ (#24 => %62, #26 => %66, #28 => %71, #30 => %75)::Union{CatPacket, LoopCategory, Vector{Any}} │ %80 = DrelTools.drel_property_access(__packet, "label", __datablock)::Any │ Core.typeassert(%80, DrelTools.CaselessString)::CaselessString │ %82 = π (%80, CaselessString) │ %83 = DrelTools.drel_property_access(__packet, "adp_type", __datablock)::Any │ Core.typeassert(%83, String)::String │ %85 = π (%83, String) │ %86 = (%85 === "Uani")::Bool └─── goto #48 if not %86 33 ─ %88 = Base.iterate::typeof(iterate) └─── goto #39 if not %48 34 ─ %90 = π (%50, Vector{Any}) │ %91 = Base.bitcast(UInt64, 1)::UInt64 │ %92 = Base.sub_int(%91, 0x0000000000000001)::UInt64 │ %93 = Base.arraylen(%90)::Int64 │ %94 = Base.sle_int(0, %93)::Bool │ %95 = Base.bitcast(UInt64, %93)::UInt64 │ %96 = Base.ult_int(%92, %95)::Bool │ %97 = Base.and_int(%94, %96)::Bool └─── goto #36 if not %97 35 ─ %99 = Base.arrayref(false, %90, 1)::Any │ %100 = Base.add_int(1, 1)::Int64 │ %101 = Core.tuple(%99, %100)::Tuple{Any, Int64} └─── goto #37 36 ─ goto #37 37 ┄ %104 = φ (#35 => %101, #36 => Base.nothing)::Union{Nothing, Tuple{Any, Int64}} └─── goto #38 38 ─ goto #42 39 ─ %107 = (isa)(%50, LoopCategory)::Bool └─── goto #41 if not %107 40 ─ %109 = π (%50, LoopCategory) │ %110 = invoke %88(%109::LoopCategory)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} └─── goto #42 41 ─ %112 = Base.iterate(%50)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} └─── goto #42 42 ┄ %114 = φ (#38 => %104, #40 => %110, #41 => %112)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} │ %115 = (%114 === nothing)::Bool │ %116 = Base.not_int(%115)::Bool └─── goto #47 if not %116 43 ┄ %118 = φ (#42 => %114, #46 => %126)::Any │ %119 = Core.getfield(%118, 1)::Any │ %120 = Core.getfield(%118, 2)::Any │ %121 = DrelTools.drel_property_access(%119, "label", __datablock)::Any │ %122 = (%82 == %121)::Any └─── goto #45 if not %122 44 ─ %124 = DrelTools.drel_property_access(%119, "matrix_u", __datablock)::Any └─── goto #47 45 ─ %126 = Base.iterate(%50, %120)::Any │ %127 = (%126 === nothing)::Bool │ %128 = Base.not_int(%127)::Bool └─── goto #47 if not %128 46 ─ goto #43 47 ┄ %131 = φ (#44 => %124, #45 => DrelTools.missing, #42 => DrelTools.missing)::Any └─── goto #73 48 ─ %133 = DrelTools.drel_property_access(__packet, "adp_type", __datablock)::Any │ Core.typeassert(%133, String)::String │ %135 = π (%133, String) │ %136 = (%135 === "Bani")::Bool └─── goto #64 if not %136 49 ─ %138 = Base.iterate::typeof(iterate) └─── goto #55 if not %49 50 ─ %140 = π (%50, Vector{Any}) │ %141 = Base.bitcast(UInt64, 1)::UInt64 │ %142 = Base.sub_int(%141, 0x0000000000000001)::UInt64 │ %143 = Base.arraylen(%140)::Int64 │ %144 = Base.sle_int(0, %143)::Bool │ %145 = Base.bitcast(UInt64, %143)::UInt64 │ %146 = Base.ult_int(%142, %145)::Bool │ %147 = Base.and_int(%144, %146)::Bool └─── goto #52 if not %147 51 ─ %149 = Base.arrayref(false, %140, 1)::Any │ %150 = Base.add_int(1, 1)::Int64 │ %151 = Core.tuple(%149, %150)::Tuple{Any, Int64} └─── goto #53 52 ─ goto #53 53 ┄ %154 = φ (#51 => %151, #52 => Base.nothing)::Union{Nothing, Tuple{Any, Int64}} └─── goto #54 54 ─ goto #58 55 ─ %157 = (isa)(%50, LoopCategory)::Bool └─── goto #57 if not %157 56 ─ %159 = π (%50, LoopCategory) │ %160 = invoke %138(%159::LoopCategory)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} └─── goto #58 57 ─ %162 = Base.iterate(%50)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} └─── goto #58 58 ┄ %164 = φ (#54 => %154, #56 => %160, #57 => %162)::Union{Nothing, Tuple{Any, Union{Int64, Tuple{Any, Any}}}} │ %165 = (%164 === nothing)::Bool │ %166 = Base.not_int(%165)::Bool └─── goto #63 if not %166 59 ┄ %168 = φ (#58 => %164, #62 => %178)::Any │ %169 = Core.getfield(%168, 1)::Any │ %170 = Core.getfield(%168, 2)::Any │ %171 = DrelTools.drel_property_access(%169, "label", __datablock)::Any │ %172 = (%82 == %171)::Any └─── goto #61 if not %172 60 ─ %174 = DrelTools.drel_property_access(%169, "matrix_b", __datablock)::Any │ %175 = Base.broadcasted(DrelTools.:/, %174, 78.95683520871486)::Any │ %176 = Base.materialize(%175)::Any └─── goto #63 61 ─ %178 = Base.iterate(%50, %170)::Any │ %179 = (%178 === nothing)::Bool │ %180 = Base.not_int(%179)::Bool └─── goto #63 if not %180 62 ─ goto #59 63 ┄ %183 = φ (#60 => %176, #61 => DrelTools.missing, #58 => DrelTools.missing)::Any └─── goto #73 64 ─ %185 = DrelTools.drel_property_access(__packet, "adp_type", __datablock)::Any │ Core.typeassert(%185, String)::String │ %187 = π (%185, String) │ %188 = (%187 === "Uiso")::Bool └─── goto #66 if not %188 65 ─ %190 = DrelTools.drel_property_access(__packet, "u_iso_or_equiv", __datablock)::Any │ Core.typeassert(%190, Float64)::Float64 │ %192 = π (%190, Float64) └─── goto #72 66 ─ %194 = DrelTools.drel_property_access(__packet, "b_iso_or_equiv", __datablock)::Any │ Core.typeassert(%194, Float64)::Float64 │ %196 = π (%194, Float64) └─── goto #68 if not true 67 ─ nothing::Nothing 68 ┄ %199 = Base.div_float(%196, 78.95683520871486)::Float64 └─── goto #69 69 ─ goto #70 70 ─ goto #71 71 ─ nothing::Nothing 72 ┄ %204 = φ (#65 => %192, #71 => %199)::Float64 │ %205 = DrelTools.drel_property_access(%79, "convert_uiso_to_uij", __datablock)::Any └─── %206 = (%204 * %205)::Any 73 ┄ %207 = φ (#47 => %131, #63 => %183, #72 => %206)::Any │ %208 = DrelTools.drel_property_access(%79, "convert_uij_to_betaij", __datablock)::Any │ %209 = (%208 * %207)::Any │ %210 = (%209 * %208)::Any └─── return %210 ) => Any] Test Summary: | Time Test tensor beta | None 12.0s Test Summary: | Pass Total Time Test value lookup | 1 1 1.5s Type specification too complex or unproductive, ignoring Test Summary: | Pass Total Time Test F_calc | 1 1 56.6s Category geom_bond Length 20 20×5 DataFrame Row │ site_symmetry_2 site_symmetry_1 distance atom_site_label_1 atom_site_label_2 │ Any Any Any CaselessString CaselessString ─────┼────────────────────────────────────────────────────────────────────────────────── 1 │ 1_555 1_555 1.31225 o1 c7 2 │ 1_555 1_555 1.31225 c7 o1 3 │ 1_555 1_555 1.24537 c7 o2 4 │ 1_555 1_555 1.46095 c7 c1 5 │ 1_555 1_555 1.24537 o2 c7 6 │ 1_555 1_555 1.46095 c1 c7 7 │ 1_555 1_555 1.41673 c1 c2 8 │ 1_555 1_555 1.39902 c1 c6 9 │ 1_555 1_555 1.41673 c2 c1 10 │ 1_555 1_555 1.355 c2 o3 11 │ 1_555 1_555 1.36943 c2 c3 12 │ 1_555 1_555 1.39902 c6 c1 13 │ 1_555 1_555 1.37664 c6 c5 14 │ 1_555 1_555 1.355 o3 c2 15 │ 1_555 1_555 1.36943 c3 c2 16 │ 1_555 1_555 1.39148 c3 c4 17 │ 1_555 1_555 1.37664 c5 c6 18 │ 1_555 1_555 1.41508 c5 c4 19 │ 1_555 1_555 1.39148 c4 c3 20 │ 1_555 1_555 1.41508 c4 c5 Any[1.3122488396121414, 1.3122488396121414, 1.2453667702306042, 1.4609474012083343, 1.2453667702306042, 1.4609474012083343, 1.41672573626104, 1.3990232592123757, 1.41672573626104, 1.3550046018539565, 1.3694290032383079, 1.3990232592123757, 1.3766354224369557, 1.3550046018539565, 1.3694290032383079, 1.3914783791734342, 1.3766354224369557, 1.4150766159179704, 1.3914783791734342, 1.4150766159179704] Test Summary: | Pass Total Time Test category methods | 1 1 1m42.5s Testing DrelTools tests passed Testing completed after 407.63s PkgEval succeeded after 554.6s