Package evaluation of AtomicSymmetries on Julia 1.11.4 (a71dd056e0*) started at 2025-04-08T09:35:51.311 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 8.64s ################################################################################ # Installation # Installing AtomicSymmetries... Resolving package versions... Updating `~/.julia/environments/v1.11/Project.toml` [7e24f7a5] + AtomicSymmetries v0.6.0 Updating `~/.julia/environments/v1.11/Manifest.toml` [7e24f7a5] + AtomicSymmetries v0.6.0 [8ce10254] + Bumper v0.7.1 [34da2185] + Compat v4.16.0 ⌅ [80545937] + CrystallographyCore v0.3.3 [692b3bcd] + JLLWrappers v1.7.0 ⌅ [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [f761d5c5] + Spglib v0.9.5 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [6ec83bb0] + StructEquality v2.1.0 [c4a57d5a] + UnsafeArrays v1.0.7 ⌅ [ac4a9f1e] + spglib_jll v2.1.0+0 [56f22d72] + Artifacts v1.11.0 [ade2ca70] + Dates v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.11.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [fa267f1f] + TOML v1.0.3 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [4536629a] + OpenBLAS_jll v0.3.27+1 [8e850b90] + libblastrampoline_jll v5.11.0+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 To see why use `status --outdated -m` Installation completed after 4.44s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 84.69s ################################################################################ # Testing # Testing AtomicSymmetries Status `/tmp/jl_hUzUvn/Project.toml` [7e24f7a5] AtomicSymmetries v0.6.0 [8ce10254] Bumper v0.7.1 [8bb1440f] DelimitedFiles v1.9.1 [438e738f] PyCall v1.96.4 [f761d5c5] Spglib v0.9.5 [37e2e46d] LinearAlgebra v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_hUzUvn/Manifest.toml` [7e24f7a5] AtomicSymmetries v0.6.0 [8ce10254] Bumper v0.7.1 [34da2185] Compat v4.16.0 [8f4d0f93] Conda v1.10.2 ⌅ [80545937] CrystallographyCore v0.3.3 [8bb1440f] DelimitedFiles v1.9.1 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [1914dd2f] MacroTools v0.5.15 [69de0a69] Parsers v2.8.1 ⌅ [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [438e738f] PyCall v1.96.4 [f761d5c5] Spglib v0.9.5 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [6ec83bb0] StructEquality v2.1.0 [c4a57d5a] UnsafeArrays v1.0.7 [81def892] VersionParsing v1.3.0 ⌅ [ac4a9f1e] spglib_jll v2.1.0+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 [b27032c2] LibCURL v0.6.4 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.11.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.2.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [fa267f1f] TOML v1.0.3 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] LibCURL_jll v8.6.0+0 [29816b5a] LibSSH2_jll v1.11.0+1 [c8ffd9c3] MbedTLS_jll v2.28.6+0 [14a3606d] MozillaCACerts_jll v2023.12.12 [4536629a] OpenBLAS_jll v0.3.27+1 [83775a58] Zlib_jll v1.2.13+1 [8e850b90] libblastrampoline_jll v5.11.0+0 [8e850ede] nghttp2_jll v1.59.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... Precompiling PyCall... 2137.9 ms ✓ Conda 15449.2 ms ✓ PyCall 2 dependencies successfully precompiled in 18 seconds. 23 already precompiled. vector_input = [0.58201463527645, 0.19496311522510845, 0.3087713440240283, 0.9291975214821775, 0.6553202559148705, 0.6948230521414537] vector_input = [0.0, 0.0, 0.0, 0.0, 0.0, 0.0] Test Summary: | Pass Total Time BCC | 3 3 45.6s vector_input = [0.58201463527645, 0.19496311522510845, 0.3087713440240283, 0.9291975214821775, 0.6553202559148705, 0.6948230521414537] vector_input = [-0.19893195583548584, -0.19893195583548584, -0.19893195583548584, 0.19893195583548584, 0.19893195583548576, 0.19893195583548584] Found 1 generators: [1] Found 4 generators: [1, 2, 4, 5] Test Summary: | Pass Total Time R3M | 3 3 1m09.2s WARNING: Method definition get_pm3m_perovskite() in module Main at /home/pkgeval/.julia/packages/AtomicSymmetries/cjitg/test/define_cell.jl:1 overwritten on the same line (check for duplicate calls to `include`). WARNING: Method definition get_gold_unit_cell() in module Main at /home/pkgeval/.julia/packages/AtomicSymmetries/cjitg/test/define_cell.jl:15 overwritten on the same line (check for duplicate calls to `include`). WARNING: Method definition get_pm3m_supercell() in module Main at /home/pkgeval/.julia/packages/AtomicSymmetries/cjitg/test/define_cell.jl:26 overwritten on the same line (check for duplicate calls to `include`). WARNING: Method definition kwcall(NamedTuple{names, T} where T<:Tuple where names, typeof(Main.get_pm3m_supercell)) in module Main at /home/pkgeval/.julia/packages/AtomicSymmetries/cjitg/test/define_cell.jl:26 overwritten on the same line (check for duplicate calls to `include`). WARNING: Method definition get_supercell(Any, Any, Any, Any) in module Main at /home/pkgeval/.julia/packages/AtomicSymmetries/cjitg/test/define_cell.jl:31 overwritten on the same line (check for duplicate calls to `include`). positions' = [0.0 0.0 0.0; 0.25 0.25 0.25; 0.25 0.25 0.0; 0.0 0.25 0.25; 0.25 0.0 0.25; 0.0 0.0 0.5; 0.25 0.25 0.75; 0.25 0.25 0.5; 0.0 0.25 0.75; 0.25 0.0 0.75; 0.0 0.5 0.0; 0.25 0.75 0.25; 0.25 0.75 0.0; 0.0 0.75 0.25; 0.25 0.5 0.25; 0.0 0.5 0.5; 0.25 0.75 0.75; 0.25 0.75 0.5; 0.0 0.75 0.75; 0.25 0.5 0.75; 0.5 0.0 0.0; 0.75 0.25 0.25; 0.75 0.25 0.0; 0.5 0.25 0.25; 0.75 0.0 0.25; 0.5 0.0 0.5; 0.75 0.25 0.75; 0.75 0.25 0.5; 0.5 0.25 0.75; 0.75 0.0 0.75; 0.5 0.5 0.0; 0.75 0.75 0.25; 0.75 0.75 0.0; 0.5 0.75 0.25; 0.75 0.5 0.25; 0.5 0.5 0.5; 0.75 0.75 0.75; 0.75 0.75 0.5; 0.5 0.75 0.75; 0.75 0.5 0.75] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 1: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 2: [21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 3: [11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 4: [31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 5: [6, 7, 8, 9, 10, 1, 2, 3, 4, 5, 16, 17, 18, 19, 20, 11, 12, 13, 14, 15, 26, 27, 28, 29, 30, 21, 22, 23, 24, 25, 36, 37, 38, 39, 40, 31, 32, 33, 34, 35] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 6: [26, 27, 28, 29, 30, 21, 22, 23, 24, 25, 36, 37, 38, 39, 40, 31, 32, 33, 34, 35, 6, 7, 8, 9, 10, 1, 2, 3, 4, 5, 16, 17, 18, 19, 20, 11, 12, 13, 14, 15] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 7: [16, 17, 18, 19, 20, 11, 12, 13, 14, 15, 6, 7, 8, 9, 10, 1, 2, 3, 4, 5, 36, 37, 38, 39, 40, 31, 32, 33, 34, 35, 26, 27, 28, 29, 30, 21, 22, 23, 24, 25] Symmetry: pm3m_group_supercell.symmetries[index] = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0] IRT of the translation 8: [36, 37, 38, 39, 40, 31, 32, 33, 34, 35, 26, 27, 28, 29, 30, 21, 22, 23, 24, 25, 16, 17, 18, 19, 20, 11, 12, 13, 14, 15, 6, 7, 8, 9, 10, 1, 2, 3, 4, 5] Positions: [0.0 0.0 0.0; -2.7502851037107878e-17 -5.525842665273679e-17 0.5000000000000001; 3.836886636674725e-17 0.49999999999999994 6.102776270852971e-17; -1.2908750463961291e-16 0.5 0.5000000000000001; 0.5 1.1788932642226054e-17 2.9745261419577613e-17; 0.5 3.744594905416056e-17 0.5; 0.5 0.4999999999999998 1.7051282530167088e-16; 0.4999999999999997 0.5 0.5000000000000002] Cell: [5.7800372359271295 0.0 0.0; 2.890018617963564 5.005659081132882 0.0; 2.890018617963565 1.668553027044295 4.719842776455855] Types: [0, 0, 0, 0, 0, 0, 0, 0] Gold group: 96 ┌ Warning: The python spglib module is not installed. Skipping the test. └ @ Main ~/.julia/packages/AtomicSymmetries/cjitg/test/runtests.jl:26 Test Summary: | Pass Total Time Spglib tests | 5 5 17.1s Test Summary: | Pass Total Time Filter | 22 22 4.8s cryst_coords' = [0.0 0.5 0.0; 0.8 0.2 -0.8] cart_coords' = [0.1 0.5 0.1; 0.44000000000000006 0.2 -0.6] new_cryst_coords' = [-8.326672684688674e-17 0.49999999999999994 5.551115123125783e-17; 0.7999999999999997 0.1999999999999999 -0.7999999999999997] Test Summary: | Pass Total Time Cart to Crystal | 6 6 0.6s Test Summary: | Pass Total Time ASR and Vector symmetrization (non-orthogonal cell) | 1 1 6.9s Test Summary: | Pass Total Time exact fc symmetrization | 147564 147564 37.5s Test Summary: | Pass Total Time translations and irt and ASR | 52 52 8.6s Found 13 generators: [1, 4, 7, 8, 10, 13, 16, 43, 148, 154, 155, 160, 190] Test Summary: | Pass Total Time generators of a non-orthogonal cell | 2304 2304 17.6s Testing AtomicSymmetries tests passed Testing completed after 239.54s PkgEval succeeded after 349.33s