Package evaluation of CrystalInfoFramework on Julia 1.13.0-DEV.111 (ce76dbf07d*) started at 2025-02-28T00:01:49.171 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 7.44s ################################################################################ # Installation # Installing CrystalInfoFramework... Resolving package versions... Updating `~/.julia/environments/v1.13/Project.toml` [6007d9b0] + CrystalInfoFramework v0.8.0 Updating `~/.julia/environments/v1.13/Manifest.toml` [34da2185] + Compat v4.16.0 [a8cc5b0e] + Crayons v4.1.1 [6007d9b0] + CrystalInfoFramework v0.8.0 [9a962f9c] + DataAPI v1.16.0 [a93c6f00] + DataFrames v1.7.0 [864edb3b] + DataStructures v0.18.20 [e2d170a0] + DataValueInterfaces v1.0.0 [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 [91c51154] + SentinelArrays v1.4.8 [a2af1166] + SortingAlgorithms v1.2.1 [10745b16] + Statistics v1.11.1 [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 v1.1.2 [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 [9fa8497b] + Future 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 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.12.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [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 v2024.12.31 [4536629a] + OpenBLAS_jll v0.3.29+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [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 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 1.6s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 125.54s ################################################################################ # Testing # Testing CrystalInfoFramework Status `/tmp/jl_uDuD90/Project.toml` [6007d9b0] CrystalInfoFramework v0.8.0 [a93c6f00] DataFrames v1.7.0 [d42ef402] Lerche v0.5.6 [8dfed614] Test v1.11.0 Status `/tmp/jl_uDuD90/Manifest.toml` [34da2185] Compat v4.16.0 [a8cc5b0e] Crayons v4.1.1 [6007d9b0] CrystalInfoFramework v0.8.0 [9a962f9c] DataAPI v1.16.0 [a93c6f00] DataFrames v1.7.0 [864edb3b] DataStructures v0.18.20 [e2d170a0] DataValueInterfaces v1.0.0 [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 [91c51154] SentinelArrays v1.4.8 [a2af1166] SortingAlgorithms v1.2.1 [10745b16] Statistics v1.11.1 [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 v1.1.2 [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 [9fa8497b] Future 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 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.12.0 [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 v2024.12.31 [4536629a] OpenBLAS_jll v0.3.29+0 [458c3c95] OpenSSL_jll v3.0.16+0 [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 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... Test Summary: | Pass Total Time Test simple CIF creation and destruction | 5 5 12.7s Difference: Set{String}() Difference: Set{String}() Test Summary: | Pass Total Time Simple data values | 8 8 4.5s Do nothing Do nothing Do nothing Do nothing Do nothing Do nothing Test Summary: | Pass Total Time Looped values | 26 26 12.5s Test Summary: | Pass Total Time List values | 2 2 0.7s Test Summary: | Pass Total Time Table values | 6 6 3.1s Test Summary: | Pass Total Time Lists and tables | 6 6 1.3s Test Summary: | Pass Total Time Missing values | 6 6 0.1s Test Summary: | Pass Total Time Caseless string testing | 12 12 0.7s Testing comment_only.cif Testing cif11_unquoted.cif Testing cif1_quoting.cif Testing empty.cif Testing simple_data.cif Testing simple_loops.cif Test Summary: | Pass Total Time Native parse CIF1 files | 6 6 0.1s Testing bom_ver2.cif Testing complex_data.cif Testing container_names.cif Testing list_data.cif Testing simple_containers.cif Testing simple_data.cif Testing simple_loops.cif Testing table_data.cif Testing text_fields.cif Testing triple.cif Testing unicode.cif Testing ver2.cif Test Summary: | Pass Total Time Native parse CIF2 files | 12 12 3.6s Test Summary: | Pass Total Time Invalid CIF1 files | 2 2 0.0s Test Summary: | Pass Total Time Invalid CIF2 files | 1 1 0.0s Test Summary: | Pass Total Time Accessing save frames | 4 4 0.3s Test Summary: | Pass Total Time Accessing save frames | 4 4 0.0s ┌ Warning: `delete!(df::DataFrame, inds)` is deprecated, use `deleteat!(df::DataFrame, inds)` instead. │ caller = resolve_templated_imports!(d::Dict{Symbol, DataFrame}, original_dir::String, cached_dicts::Dict{Any, Any}) at ddlm_dictionary_ng.jl:1528 └ @ Core ~/.julia/packages/CrystalInfoFramework/Mk0lT/src/ddlm_dictionary_ng.jl:1528 Test Summary: | Pass Total Time Testing dictionary access and construction | 2 2 43.2s Full import of /home/pkgeval/.julia/packages/CrystalInfoFramework/Mk0lT/test/cif_core.dic/CIF_CORE/Exit/Exit ┌ Warning: `delete!(df::DataFrame, inds)` is deprecated, use `deleteat!(df::DataFrame, inds)` instead. │ caller = delete!(d::DDLm_Dictionary, k::String) at ddlm_dictionary_ng.jl:265 └ @ Core ~/.julia/packages/CrystalInfoFramework/Mk0lT/src/ddlm_dictionary_ng.jl:265 Test Summary: | Pass Total Time DDLm_Dictionaries | 21 21 3m58.1s Test Summary: | Pass Total Time Dictionary updating | 14 14 2m17.0s Full import of /home/pkgeval/.julia/packages/CrystalInfoFramework/Mk0lT/test/cif_core.dic/CIF_CORE/Exit/Exit Test Summary: | Pass Total Time Importation | 4 4 2m15.1s Test Summary: | Pass Total Time Introspecting imports | 3 3 2.5s Test Summary: | Pass Total Time Function-related tests for DDLm | 7 7 2m05.5s Added implicit value for category_methods.category_id Added implicit value for item_methods.name Test Summary: | Pass Total Time Function-related tests for DDL2 | 7 7 11.5s Test Summary: | Pass Total Time DDLm reference dictionaries | 9 9 2.3s Added implicit value for category_methods.category_id Added implicit value for item_methods.name Added implicit value for item_default.name Added implicit value for category_group.category_id Added implicit value for category_examples.id Added implicit value for item_description.name Added implicit value for item_type.name Added implicit value for item_aliases.name Added implicit value for item_enumeration.name Added implicit value for item_units.name Added implicit value for item_examples.name Added implicit value for category_key.id Added implicit value for item_sub_category.name Added implicit value for item_related.name Added implicit value for item_range.name Test Summary: | Pass Total Time DDL2 dictionaries | 16 16 5.9s Full import of /home/pkgeval/.julia/packages/CrystalInfoFramework/Mk0lT/test/cif_core.dic/CIF_CORE/Exit/Exit Added implicit value for item_default.name Added implicit value for category_group.category_id Added implicit value for category_examples.id Added implicit value for item_description.name Added implicit value for item_type.name Added implicit value for item_aliases.name Added implicit value for item_enumeration.name Added implicit value for item_units.name Added implicit value for item_examples.name Added implicit value for category_key.id Added implicit value for item_sub_category.name Added implicit value for item_related.name Added implicit value for item_range.name Added implicit value for item_default.name Added implicit value for dictionary.datablock_id Added implicit value for category_group.category_id Added implicit value for category_examples.id Added implicit value for item_description.name Added implicit value for item_type.name Added implicit value for item_aliases.name Added implicit value for item_enumeration.name Added implicit value for item_units.name Added implicit value for item_examples.name Added implicit value for datablock.id Added implicit value for category_key.id Added implicit value for item_sub_category.name Added implicit value for item_related.name Added implicit value for item_range.name Test Summary: | Pass Total Time Writing dictionaries | 3 3 3m00.5s Full import of /home/pkgeval/.julia/packages/CrystalInfoFramework/Mk0lT/test/cif_core.dic/CIF_CORE/Exit/Exit Test Summary: | Pass Total Time Dictionary -> Julia type mapping | 3 3 2m14.0s Test Summary: | Pass Total Time Data with dictionaries | 8 8 2m13.9s About to merge blocks ┌ Warning: Category reflns: no key data names defined. Values must be identical for successful merge └ @ CrystalInfoFramework ~/.julia/packages/CrystalInfoFramework/Mk0lT/src/merge_blocks.jl:55 Test Summary: | Pass Total Time Merging blocks | 5 5 2m28.3s Test Summary: | Pass Total Time Simple constructions | 7 7 2.4s Test Summary: | Pass Total Time Individual values | 8 8 0.0s data_saly2_all_aniso _cell.angle_alpha 90.00000 _cell.angle_beta 90.8331(5) _cell.angle_gamma 90.00000 _cell.formula_units_z 4 _cell.length_a 11.520(12) _cell.length_b 11.210(11) _cell.length_c 4.920(5) _cell.volume 635.3(11) _chemical_formula.sum 'C7 H6 O3' _chemical_formula.weight 132.07 _diffrn_radiation.probe x-ray _diffrn_radiation.type 'Cu K\a' _diffrn_radiation_wavelength.value 1.5418 _exptl_crystal.density_diffrn 1.444 _exptl_crystal.density_meas 1.234 _reflns.apply_dispersion_to_fcalc Yes _symmetry.cell_setting monoclinic _symmetry.space_group_name_h-m P_1_21/a_1 _symmetry.space_group_name_hall -p_2yab loop_ _space_group_symop.operation_xyz +x,+y,+z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,+z loop_ _atom_type.atomic_mass _atom_type.number_in_cell _atom_type.symbol 15.999 12 O 12.011 28 C 1.008 24 H loop_ _atom_type_scat.dispersion_imag _atom_type_scat.dispersion_real _atom_type_scat.source _atom_type_scat.symbol .032 .047 'Int Tables Vol IV Tables 2.2B and 2.3.1' O .009 .017 'Int Tables Vol IV Tables 2.2B and 2.3.1' C 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1' H loop_ _atom_site.adp_type _atom_site.fract_x _atom_site.fract_y _atom_site.fract_z _atom_site.label _atom_site.occupancy _atom_site.u_iso_or_equiv Uani .5505(5) .6374(5) .1605(11) o1 1.00000 .035(3) Uani .4009(5) .5162(5) .2290(11) o2 1.00000 .033(3) Uani .2501(5) .5707(5) .6014(13) o3 1.00000 .043(4) Uani .4170(7) .6930(8) .4954(15) c1 1.00000 .029(4) Uani .3145(7) .6704(8) .6425(16) c2 1.00000 .031(5) Uani .2789(8) .7488(8) .8378(17) c3 1.00000 .040(5) Uani .3417(9) .8529(8) .8859(18) c4 1.00000 .045(6) Uani .4445(9) .8778(9) .7425(18) c5 1.00000 .045(6) Uani .4797(8) .7975(8) .5487(17) c6 1.00000 .038(5) Uani .4549(7) .6092(7) .2873(16) c7 1.00000 .029(4) loop_ _atom_site_aniso.label _atom_site_aniso.u_11 _atom_site_aniso.u_12 _atom_site_aniso.u_13 _atom_site_aniso.u_22 _atom_site_aniso.u_23 _atom_site_aniso.u_33 c1 .028(4) .000(4) .005(3) .036(5) -.004(3) .023(4) c2 .027(4) .003(4) .003(3) .032(5) -.007(3) .035(5) c3 .044(5) .011(5) .003(4) .041(5) -.010(4) .035(5) c4 .057(6) .014(5) -.006(4) .034(6) -.010(4) .045(6) o1 .029(3) -.008(3) .017(2) .033(3) -.007(2) .043(3) o2 .029(3) -.008(3) .015(2) .031(3) -.010(2) .040(3) o3 .033(3) -.003(3) .018(3) .033(4) -.007(3) .064(4) loop_ _refln.f_calc _refln.f_meas _refln.index_h _refln.index_k _refln.index_l 23.993 26.557 0 0 3 32.058 33.109 0 1 1 6.604 9.008 1 1 1 loop_ _geom_bond.atom_site_label_1 _geom_bond.atom_site_label_2 _geom_bond.distance _geom_bond.publ_flag _geom_bond.site_symmetry_1 _geom_bond.site_symmetry_2 C1A C2A 1.524(4) y . . C1A C11A 1.539(4) n . . C1A C6A 1.552(3) n . . C1A C10A 1.555(4) n . . C2A O1A 1.434(3) y . . C2A C3A 1.521(4) n . . C2A H2A 0.9800 n . . C3A C4A 1.533(4) n . . C3A H3A1 0.9700 n . . data_saly2_all_aniso _cell.angle_alpha 90.00000 _cell.angle_beta 90.8331(5) _cell.angle_gamma 90.00000 _cell.formula_units_z 4 _cell.length_a 11.520(12) _cell.length_b 11.210(11) _cell.length_c 4.920(5) _cell.volume 635.3(11) _chemical_formula.sum 'C7 H6 O3' _chemical_formula.weight 132.07 _diffrn_radiation.probe x-ray _diffrn_radiation.type 'Cu K\a' _diffrn_radiation_wavelength.value 1.5418 _exptl_crystal.density_diffrn 1.444 _exptl_crystal.density_meas 1.234 _reflns.apply_dispersion_to_fcalc Yes _symmetry.cell_setting monoclinic _symmetry.space_group_name_h-m P_1_21/a_1 _symmetry.space_group_name_hall -p_2yab loop_ _space_group_symop.operation_xyz +x,+y,+z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,+z loop_ _atom_type.atomic_mass _atom_type.number_in_cell _atom_type.symbol 15.999 12 O 12.011 28 C 1.008 24 H loop_ _atom_type_scat.dispersion_imag _atom_type_scat.dispersion_real _atom_type_scat.source _atom_type_scat.symbol .032 .047 'Int Tables Vol IV Tables 2.2B and 2.3.1' O .009 .017 'Int Tables Vol IV Tables 2.2B and 2.3.1' C 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1' H loop_ _atom_site.adp_type _atom_site.fract_x _atom_site.fract_y _atom_site.fract_z _atom_site.label _atom_site.occupancy _atom_site.u_iso_or_equiv Uani .5505(5) .6374(5) .1605(11) o1 1.00000 .035(3) Uani .4009(5) .5162(5) .2290(11) o2 1.00000 .033(3) Uani .2501(5) .5707(5) .6014(13) o3 1.00000 .043(4) Uani .4170(7) .6930(8) .4954(15) c1 1.00000 .029(4) Uani .3145(7) .6704(8) .6425(16) c2 1.00000 .031(5) Uani .2789(8) .7488(8) .8378(17) c3 1.00000 .040(5) Uani .3417(9) .8529(8) .8859(18) c4 1.00000 .045(6) Uani .4445(9) .8778(9) .7425(18) c5 1.00000 .045(6) Uani .4797(8) .7975(8) .5487(17) c6 1.00000 .038(5) Uani .4549(7) .6092(7) .2873(16) c7 1.00000 .029(4) loop_ _atom_site_aniso.label _atom_site_aniso.u_11 _atom_site_aniso.u_12 _atom_site_aniso.u_13 _atom_site_aniso.u_22 _atom_site_aniso.u_23 _atom_site_aniso.u_33 c1 .028(4) .000(4) .005(3) .036(5) -.004(3) .023(4) c2 .027(4) .003(4) .003(3) .032(5) -.007(3) .035(5) c3 .044(5) .011(5) .003(4) .041(5) -.010(4) .035(5) c4 .057(6) .014(5) -.006(4) .034(6) -.010(4) .045(6) o1 .029(3) -.008(3) .017(2) .033(3) -.007(2) .043(3) o2 .029(3) -.008(3) .015(2) .031(3) -.010(2) .040(3) o3 .033(3) -.003(3) .018(3) .033(4) -.007(3) .064(4) loop_ _refln.f_calc _refln.f_meas _refln.index_h _refln.index_k _refln.index_l 23.993 26.557 0 0 3 32.058 33.109 0 1 1 6.604 9.008 1 1 1 loop_ _geom_bond.atom_site_label_1 _geom_bond.atom_site_label_2 _geom_bond.distance _geom_bond.publ_flag _geom_bond.site_symmetry_1 _geom_bond.site_symmetry_2 C1A C2A 1.524(4) y . . C1A C11A 1.539(4) n . . C1A C6A 1.552(3) n . . C1A C10A 1.555(4) n . . C2A O1A 1.434(3) y . . C2A C3A 1.521(4) n . . C2A H2A 0.9800 n . . C3A C4A 1.533(4) n . . C3A H3A1 0.9700 n . . Test Summary: | Pass Total Time Straight in and out | 2 2 1.0s Testing CrystalInfoFramework tests passed Testing completed after 1366.68s PkgEval succeeded after 1519.32s