Package evaluation of ExpressCommands on Julia 1.13.0-DEV.111 (ce76dbf07d*) started at 2025-02-28T06:01:58.634 ################################################################################ # Set-up # Set-up completed after 0.27s ################################################################################ # Installation # Installing ExpressCommands... Resolving package versions... Installed QuantumESPRESSOCommands ─ v0.6.4 Installed Conda ─────────────────── v1.10.2 Installed ExpressCommands ───────── v0.6.1 Installed PyCall ────────────────── v1.96.4 Updating `~/.julia/environments/v1.13/Project.toml` [0fa58581] + ExpressCommands v0.6.1 Updating `~/.julia/environments/v1.13/Manifest.toml` ⌅ [df5135bc] + AbInitioSoftwareBase v0.6.5 [6b84a0a3] + AcuteML v0.11.3 [79e6a3ab] + Adapt v4.2.0 [66dad0bd] + AliasTables v1.1.3 [ec485272] + ArnoldiMethod v0.4.0 [4fba245c] + ArrayInterface v7.18.0 [861a8166] + Combinatorics v1.0.2 [38540f10] + CommonSolve v0.2.4 [bbf7d656] + CommonSubexpressions v0.3.1 [863f3e99] + Comonicon v1.0.8 [34da2185] + Compat v4.16.0 [8f4d0f93] + Conda v1.10.2 [5218b696] + Configurations v0.17.6 [187b0558] + ConstructionBase v1.5.8 [150eb455] + CoordinateTransformations v0.6.4 [5a653867] + Counters v0.3.4 [a8cc5b0e] + Crayons v4.1.1 ⌅ [3bff3928] + Crystallography v0.5.1 ⌅ [93b1d1cd] + CrystallographyBase v0.5.2 [9a962f9c] + DataAPI v1.16.0 ⌃ [a93c6f00] + DataFrames v1.3.6 ⌃ [864edb3b] + DataStructures v0.17.20 [e2d170a0] + DataValueInterfaces v1.0.0 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [31c24e10] + Distributions v0.25.117 [ffbed154] + DocStringExtensions v0.9.3 ⌅ [8d49d7c9] + EquationOfStateRecipes v0.1.3 [0438fec6] + EquationsOfState v4.0.0 [1eaa2786] + EquationsOfStateOfSolids v0.4.2 [b12df14e] + Express v0.9.2 [0fa58581] + ExpressCommands v0.6.1 [55351af7] + ExproniconLite v0.10.14 [8f5d6c58] + EzXML v1.2.0 [5789e2e9] + FileIO v1.17.0 [1a297f60] + FillArrays v1.13.0 [6a86dc24] + FiniteDiff v2.27.0 [59287772] + Formatting v0.4.3 [f6369f11] + ForwardDiff v0.10.38 ⌅ [d9f16b24] + Functors v0.2.8 [c27321d9] + Glob v1.3.1 [86223c79] + Graphs v1.12.0 [34004b35] + HypergeometricFunctions v0.3.27 [d25df0c9] + Inflate v0.1.5 [41ab1584] + InvertedIndices v1.3.1 [92d709cd] + IrrationalConstants v0.2.4 [ceb4388c] + IsURL v0.2.0 [c8e1da08] + IterTools v1.10.0 [82899510] + IteratorInterfaceExtensions v1.0.0 ⌅ [033835bb] + JLD2 v0.4.54 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [2ab3a3ac] + LogExpFunctions v0.3.29 ⌅ [2fda8390] + LsqFit v0.12.1 [d8e11817] + MLStyle v0.4.17 [1914dd2f] + MacroTools v0.5.15 [e1d29d7a] + Missings v1.2.0 [d41bc354] + NLSolversBase v7.8.3 [77ba4419] + NaNMath v1.1.2 [87e2bd06] + OptimBase v2.0.2 [bac558e1] + OrderedCollections v1.8.0 [90014a1f] + PDMats v0.11.32 [9b87118b] + PackageCompiler v2.2.0 [d96e819e] + Parameters v0.12.3 [69de0a69] + Parsers v2.8.1 [7b2266bf] + PeriodicTable v1.2.1 [3a141323] + PolynomialRoots v1.0.0 ⌅ [f27b6e38] + Polynomials v3.2.13 [2dfb63ee] + PooledArrays v1.4.3 [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [8162dcfd] + PrettyPrint v0.2.0 ⌅ [08abe8d2] + PrettyTables v1.3.1 [1b2dc2e6] + Pseudopotentials v0.8.1 [43287f4e] + PtrArrays v1.3.0 [438e738f] + PyCall v1.96.4 [e44308e6] + PyFortran90Namelists v0.1.0 [5a1273f0] + PyQHA v0.1.1 [1fd47b50] + QuadGK v2.11.2 ⌅ [95228164] + QuantumESPRESSO v0.8.1 ⌅ [51b62caa] + QuantumESPRESSOBase v0.7.8 ⌅ [f713baf6] + QuantumESPRESSOCommands v0.6.4 [524a00d3] + QuantumESPRESSOExpress v0.5.9 ⌅ [a4e7ca57] + QuantumESPRESSOFormatter v0.3.9 ⌅ [a780ab42] + QuantumESPRESSOParser v0.3.12 [cbbcb084] + ReadableRegex v0.3.2 [3cdcf5f2] + RecipesBase v1.3.4 [189a3867] + Reexport v1.2.2 [05181044] + RelocatableFolders v1.0.1 [ae029012] + Requires v1.3.1 [79098fc4] + Rmath v0.8.0 ⌅ [f2b01f46] + Roots v1.2.0 [6c6a2e73] + Scratch v1.2.1 [efcf1570] + Setfield v1.1.2 [699a6c99] + SimpleTraits v0.9.4 ⌅ [6a97d125] + SimpleWorkflows v0.16.2 [a2af1166] + SortingAlgorithms v1.2.1 [276daf66] + SpecialFunctions v2.5.0 ⌅ [f761d5c5] + Spglib v0.5.3 [90137ffa] + StaticArrays v1.9.12 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.0 ⌅ [2913bbd2] + StatsBase v0.33.21 [4c63d2b9] + StatsFuns v1.3.2 [69024149] + StringEncodings v0.3.7 ⌅ [4093c41a] + StructHelpers v0.1.5 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.0 [3bb67fe8] + TranscodingStreams v0.11.3 [410a4b4d] + Tricks v0.1.10 [0ca489f0] + TryCatch v0.1.1 [0fb2cfb0] + TypeTransform v0.1.3 [3a884ed6] + UnPack v1.0.2 [8030dd95] + UnifiedPseudopotentialFormat v0.4.1 [1986cc42] + Unitful v1.22.0 [a7773ee8] + UnitfulAtomic v1.0.0 [81def892] + VersionParsing v1.3.0 [ddb6d928] + YAML v0.4.12 [1d63c593] + LLVMOpenMP_jll v18.1.7+0 [94ce4f54] + Libiconv_jll v1.18.0+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [f50d1b31] + Rmath_jll v0.5.1+0 [02c8fc9c] + XML2_jll v2.13.6+1 ⌅ [ac4a9f1e] + spglib_jll v1.16.5+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed 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 [4af54fe1] + LazyArtifacts v1.11.0 [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 v1.12.0 [de0858da] + Printf v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [1a1011a3] + SharedArrays v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.12.0 [f489334b] + StyledStrings v1.11.0 [4607b0f0] + SuiteSparse [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 [05823500] + OpenLibm_jll v0.8.5+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [bea87d4a] + SuiteSparse_jll v7.8.3+2 [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 ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m` Building QuantumESPRESSOCommands → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/912cf2dc86d82cdf8c7f4524644969065118a407/build.log` Building Conda ──────────────────→ `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/b19db3927f0db4151cb86d073689f2428e524576/build.log` Building PyCall ─────────────────→ `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/9816a3826b0ebf49ab4926e2b18842ad8b5c8f04/build.log` Building ExpressCommands ────────→ `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/a52f0734cd3cd1ac001ad614e5d084bb33e6f8b5/build.log` Installation failed after 1939.62s ERROR: LoadError: Error building `ExpressCommands`: Precompiling packages... 2779.1 ms ✓ Combinatorics 832.0 ms ✓ EquationsOfState 933.6 ms ✓ Tricks 928.9 ms ✓ TryCatch 829.0 ms ✓ CommonSolve 886.7 ms ✓ PrettyPrint 951.3 ms ✓ ReadableRegex 882.4 ms ✓ Pseudopotentials 80301.9 ms ✓ MLStyle 994.8 ms ✓ Inflate 941.9 ms ✓ PolynomialRoots 1069.8 ms ✓ Functors 1259.1 ms ✓ Formatting 1897.5 ms ✓ PDMats 1576.5 ms ✓ Counters 1727.5 ms ✓ StructHelpers 6475.8 ms ✓ UnitfulAtomic 6101.9 ms ✓ DataStructures 2131.8 ms ✓ TypeTransform 3154.7 ms ✓ SimpleTraits 1380.0 ms ✓ Rmath_jll 1400.9 ms ✓ spglib_jll 18675.3 ms ✓ FileIO 3677.9 ms ✓ ArnoldiMethod 5671.3 ms ✓ CoordinateTransformations 57438.2 ms ✓ Polynomials 2661.4 ms ✓ HypergeometricFunctions 6408.1 ms ✓ PyFortran90Namelists 50512.2 ms ✓ PyQHA 2687.6 ms ✓ OptimBase 5813.9 ms ✓ Roots 24758.6 ms ✓ PrettyTables 1669.6 ms ✓ FillArrays → FillArraysPDMatsExt 2435.3 ms ✓ SortingAlgorithms 3851.4 ms ✓ QuadGK 2023.5 ms ✓ Rmath 27994.8 ms ✓ Spglib 104928.0 ms ✓ JLD2 12896.3 ms ✓ Graphs 13100.0 ms ✓ AcuteML 9641.0 ms ✓ StatsBase 144127.6 ms ✓ DataFrames 8779.5 ms ✓ StatsFuns 17225.2 ms ✓ CrystallographyBase 129209.9 ms ✓ SimpleWorkflows 24028.0 ms ✓ UnifiedPseudopotentialFormat 21856.3 ms ✓ Distributions 6921.5 ms ✓ Crystallography 8446.3 ms ✓ LsqFit 8410.6 ms ? QuantumESPRESSOBase 13583.5 ms ✓ EquationsOfStateOfSolids 10929.6 ms ? QuantumESPRESSOParser 12800.4 ms ✓ EquationOfStateRecipes ✗ Express 87558.5 ms ? QuantumESPRESSOFormatter 9017.0 ms ? QuantumESPRESSO 15280.0 ms ? QuantumESPRESSOExpress Info Given ExpressCommands was explicitly requested, output will be shown live  WARNING: Constructor for type "Symbol" was extended in `Polynomials` without explicit qualification or import.  NOTE: Assumed "Symbol" refers to `Base.Symbol`. This behavior is deprecated and may differ in future versions.`  NOTE: This behavior may have differed in Julia versions prior to 1.12.  Hint: If you intended to create a new generic function of the same name, use `function Symbol end`.  Hint: To silence the warning, qualify `Symbol` as `Base.Symbol` or explicitly `import Base: Symbol` [ Info: Running `conda config --set pip_interop_enabled true --file /home/pkgeval/.julia/conda/3/x86_64/condarc-julia.yml` in root environment [ Info: Running `pip install git+https://github.com/MineralsCloud/qha.git@v1.0.20` in root environment Collecting git+https://github.com/MineralsCloud/qha.git@v1.0.20  Cloning https://github.com/MineralsCloud/qha.git (to revision v1.0.20) to /tmp/pip-req-build-ef3qpe23  Running command git clone --filter=blob:none --quiet https://github.com/MineralsCloud/qha.git /tmp/pip-req-build-ef3qpe23  Running command git checkout -q 4f02797c5cb659be6c030a8a4a4c19c5491d1132  Resolved https://github.com/MineralsCloud/qha.git to commit 4f02797c5cb659be6c030a8a4a4c19c5491d1132  Preparing metadata (setup.py): started  Preparing metadata (setup.py): finished with status 'done' Requirement already satisfied: lazy_property in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.0.1) Requirement already satisfied: numba in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.61.0) Requirement already satisfied: mpmath in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (1.3.0) Requirement already satisfied: numpy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.1.3) Requirement already satisfied: pandas in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.2.3) Requirement already satisfied: scientific-string in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.1.0) Requirement already satisfied: scipy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (1.15.2) Requirement already satisfied: text-stream in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.2.0) Requirement already satisfied: pyyaml in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (6.0.2) Requirement already satisfied: matplotlib in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (3.10.1) Requirement already satisfied: seaborn in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.13.2) Requirement already satisfied: contourpy>=1.0.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (1.3.1) Requirement already satisfied: cycler>=0.10 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (0.12.1) Requirement already satisfied: fonttools>=4.22.0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (4.56.0) Requirement already satisfied: kiwisolver>=1.3.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (1.4.8) Requirement already satisfied: packaging>=20.0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (24.2) Requirement already satisfied: pillow>=8 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (11.1.0) Requirement already satisfied: pyparsing>=2.3.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (3.2.1) Requirement already satisfied: python-dateutil>=2.7 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (2.9.0.post0) Requirement already satisfied: llvmlite<0.45,>=0.44.0dev0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from numba->qha==1.0.20) (0.44.0) Requirement already satisfied: pytz>=2020.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from pandas->qha==1.0.20) (2025.1) Requirement already satisfied: tzdata>=2022.7 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from pandas->qha==1.0.20) (2025.1) Requirement already satisfied: six>=1.5 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from python-dateutil>=2.7->matplotlib->qha==1.0.20) (1.17.0) ERROR: LoadError: InitError: PyError (PyImport_ImportModule) TypingError('Failed in nopython mode pipeline (step: nopython frontend)\n\x1b[1m\x1b[1mUntyped global name \'ho_free_energy\':\x1b[0m \x1b[1m\x1b[1mCannot determine Numba type of \x1b[0m\n\x1b[1m\nFile "../../../../conda/3/x86_64/lib/python3.12/site-packages/qha/single_configuration.py", line 45:\x1b[0m\n\x1b[1mdef free_energy(temperature: Scalar, q_weights: Vector, static_energies: Vector, frequencies: Array3D,\n \n scaled_q_weights: Vector = q_weights / np.sum(q_weights)\n\x1b[1m vibrational_energies: Vector = np.dot(ho_free_energy(temperature, frequencies).sum(axis=2), scaled_q_weights)\n\x1b[0m \x1b[1m^\x1b[0m\x1b[0m\n\x1b[0m\n\x1b[0m\x1b[1mDuring: Pass nopython_type_inference\x1b[0m')  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/calculator.py", line 20, in  import qha.multi_configurations.different_phonon_dos as different_phonon_dos  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/multi_configurations/different_phonon_dos.py", line 17, in  from qha.single_configuration import free_energy  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/single_configuration.py", line 20, in  @jit(float64[:](float64, float64[:], float64[:], float64[:, :, :], boolean), cache=True)  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/decorators.py", line 232, in wrapper  disp.compile(sig)  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 904, in compile  cres = self._compiler.compile(args, return_type)  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 84, in compile  raise retval  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 94, in _compile_cached  retval = self._compile_core(args, return_type)  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 107, in _compile_core  cres = compiler.compile_extra(self.targetdescr.typing_context,  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 739, in compile_extra  return pipeline.compile_extra(func)  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 439, in compile_extra  return self._compile_bytecode()  ^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 505, in _compile_bytecode  return self._compile_core()  ^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 484, in _compile_core  raise e  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 473, in _compile_core  pm.run(self.state)  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 367, in run  raise patched_exception  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 356, in run  self._runPass(idx, pass_inst, state)  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_lock.py", line 35, in _acquire_compile_lock  return func(*args, **kwargs)  ^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 311, in _runPass  mutated |= check(pss.run_pass, internal_state)  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 272, in check  mangled = func(compiler_state)  ^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typed_passes.py", line 112, in run_pass  typemap, return_type, calltypes, errs = type_inference_stage(  ^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typed_passes.py", line 91, in type_inference_stage  infer.build_constraint()  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1027, in build_constraint  self.constrain_statement(inst)  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1389, in constrain_statement  self.typeof_assign(inst)  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1464, in typeof_assign  self.typeof_global(inst, inst.target, value)  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1564, in typeof_global  typ = self.resolve_value_type(inst, gvar.value)  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1485, in resolve_value_type  raise TypingError(msg, loc=inst.loc)  Stacktrace:  [1] pyimport(name::String)  @ PyCall ~/.julia/packages/PyCall/1gn3u/src/PyCall.jl:558  [2] __init__()  @ PyQHA ~/.julia/packages/PyQHA/S6CTK/src/PyQHA.jl:22  [3] run_module_init(mod::Module, i::Int64)  @ Base ./loading.jl:1424  [4] register_restored_modules(sv::Core.SimpleVector, pkg::Base.PkgId, path::String)  @ Base ./loading.jl:1412  [5] _include_from_serialized(pkg::Base.PkgId, path::String, ocachepath::String, depmods::Vector{Any}, ignore_native::Bool; register::Bool)  @ Base ./loading.jl:1300  [6] _include_from_serialized  @ ./loading.jl:1246 [inlined]  [7] _tryrequire_from_serialized(pkg::Base.PkgId, path::String, ocachepath::String)  @ Base ./loading.jl:2014  [8] __require_prelocked(pkg::Base.PkgId, env::String)  @ Base ./loading.jl:2697  [9] _require_prelocked(uuidkey::Base.PkgId, env::String)  @ Base ./loading.jl:2493  [10] macro expansion  @ ./loading.jl:2421 [inlined]  [11] macro expansion  @ ./lock.jl:376 [inlined]  [12] __require(into::Module, mod::Symbol)  @ Base ./loading.jl:2386  [13] #invoke_in_world#2  @ ./essentials.jl:1092 [inlined]  [14] invoke_in_world  @ ./essentials.jl:1088 [inlined]  [15] require(into::Module, mod::Symbol)  @ Base ./loading.jl:2366  [16] include(mapexpr::Function, mod::Module, _path::String)  @ Base ./Base.jl:308  [17] top-level scope  @ ~/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/QuasiHarmonicApproxWorkflow.jl:11  [18] include(mapexpr::Function, mod::Module, _path::String)  @ Base ./Base.jl:308  [19] top-level scope  @ ~/.julia/packages/Express/G2zCJ/src/Express.jl:41  [20] include(mod::Module, _path::String)  @ Base ./Base.jl:307  [21] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::String)  @ Base ./loading.jl:3004  [22] top-level scope  @ stdin:6  [23] eval(m::Module, e::Any)  @ Core ./boot.jl:488  [24] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:2855  [25] include_string  @ ./loading.jl:2865 [inlined]  [26] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:326  [27] _start()  @ Base ./client.jl:560 during initialization of module PyQHA in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/actions.jl:2 in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/QuasiHarmonicApproxWorkflow.jl:1 in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/Express.jl:1 in expression starting at stdin:6 ERROR: LoadError: Failed to precompile Express [b12df14e-adf7-11e9-0606-d5813a258349] to "/home/pkgeval/.julia/compiled/v1.13/Express/jl_kHeYKU" (ProcessExited(1)). Stacktrace:  [1] error(s::String)  @ Base ./error.jl:44  [2] compilecache(pkg::Base.PkgId, path::String, internal_stderr::IO, internal_stdout::IO, keep_loaded_modules::Bool; flags::Cmd, cacheflags::Base.CacheFlags, reasons::Dict{String, Int64}, loadable_exts::Nothing)  @ Base ./loading.jl:3291  [3] (::Base.var"#__require_prelocked##0#__require_prelocked##1"{Base.PkgId})()  @ Base ./loading.jl:2682  [4] mkpidlock(f::Base.var"#__require_prelocked##0#__require_prelocked##1"{Base.PkgId}, at::String, pid::Int32; kwopts::@Kwargs{stale_age::Int64, wait::Bool})  @ FileWatching.Pidfile /opt/julia/share/julia/stdlib/v1.13/FileWatching/src/pidfile.jl:93  [5] #mkpidlock#7  @ /opt/julia/share/julia/stdlib/v1.13/FileWatching/src/pidfile.jl:88 [inlined]  [6] trymkpidlock(::Function, ::Vararg{Any}; kwargs::@Kwargs{stale_age::Int64})  @ FileWatching.Pidfile /opt/julia/share/julia/stdlib/v1.13/FileWatching/src/pidfile.jl:114  [7] apply_gr_kw(::NamedTuple, ::GlobalRef, ::Any, ::Vararg{Any})  @ Base ./reflection.jl:1280  [8] #invokelatest_gr#227  @ ./reflection.jl:1288 [inlined]  [9] invokelatest_gr  @ ./reflection.jl:1282 [inlined]  [10] maybe_cachefile_lock(f::Base.var"#__require_prelocked##0#__require_prelocked##1"{Base.PkgId}, pkg::Base.PkgId, srcpath::String; stale_age::Int64)  @ Base ./loading.jl:3862  [11] maybe_cachefile_lock  @ ./loading.jl:3859 [inlined]  [12] __require_prelocked(pkg::Base.PkgId, env::String)  @ Base ./loading.jl:2668  [13] _require_prelocked(uuidkey::Base.PkgId, env::String)  @ Base ./loading.jl:2493  [14] macro expansion  @ ./loading.jl:2421 [inlined]  [15] macro expansion  @ ./lock.jl:376 [inlined]  [16] __require(into::Module, mod::Symbol)  @ Base ./loading.jl:2386  [17] #invoke_in_world#2  @ ./essentials.jl:1092 [inlined]  [18] invoke_in_world  @ ./essentials.jl:1088 [inlined]  [19] require(into::Module, mod::Symbol)  @ Base ./loading.jl:2366  [20] top-level scope  @ ~/.julia/packages/ExpressCommands/01lmx/src/EOS.jl:8  [21] include(mapexpr::Function, mod::Module, _path::String)  @ Base ./Base.jl:308  [22] top-level scope  @ ~/.julia/packages/ExpressCommands/01lmx/src/ExpressCommands.jl:92  [23] include(mod::Module, _path::String)  @ Base ./Base.jl:307  [24] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing)  @ Base ./loading.jl:3004  [25] top-level scope  @ stdin:6  [26] eval(m::Module, e::Any)  @ Core ./boot.jl:488  [27] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:2855  [28] include_string  @ ./loading.jl:2865 [inlined]  [29] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:326  [30] _start()  @ Base ./client.jl:560 in expression starting at /home/pkgeval/.julia/packages/ExpressCommands/01lmx/src/EOS.jl:1 in expression starting at /home/pkgeval/.julia/packages/ExpressCommands/01lmx/src/ExpressCommands.jl:1 in expression starting at stdin:6 ✗ ExpressCommands 51 dependencies successfully precompiled in 1810 seconds. 122 already precompiled. 5 dependencies failed but may be precompilable after restarting julia 11 dependencies had output during precompilation: ┌ QuantumESPRESSOExpress │ WARNING: Method definition (::Type{QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist})(QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist) in module PWscf at /home/pkgeval/.julia/packages/QuantumESPRESSOBase/nH4ko/src/Inputs/PWscf/namelists.jl:134 overwritten at /home/pkgeval/.julia/packages/StructHelpers/hTI1b/src/StructHelpers.jl:37. │ ERROR: Method overwriting is not permitted during Module precompilation. Use `__precompile__(false)` to opt-out of precompilation. └ ┌ QuantumESPRESSOFormatter │ [ Info: Installing f90nml via the Conda f90nml package... │ [ Info: Running `conda config --add channels conda-forge --file /home/pkgeval/.julia/conda/3/x86_64/condarc-julia.yml --force` in root environment │ Warning: 'conda-forge' already in 'channels' list, moving to the top │ [ Info: Running `conda install -q -y f90nml` in root environment │ Channels: │ - conda-forge │ - defaults │ Platform: linux-64 │ Collecting package metadata (repodata.json): ...working... done │ Solving environment: ...working... done │ │ ## Package Plan ## │ │ environment location: /home/pkgeval/.julia/conda/3/x86_64 │ │ added / updated specs: │ - f90nml │ │ │ The following packages will be downloaded: │ │ package | build │ ---------------------------|----------------- │ f90nml-1.4.4 | pyhd8ed1ab_1 33 KB conda-forge │ ------------------------------------------------------------ │ Total: 33 KB │ │ The following NEW packages will be INSTALLED: │ │ f90nml conda-forge/noarch::f90nml-1.4.4-pyhd8ed1ab_1 │ │ │ Preparing transaction: ...working... done │ Verifying transaction: ...working... done │ Executing transaction: ...working... done │ WARNING: Method definition (::Type{QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist})(QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist) in module PWscf at /home/pkgeval/.julia/packages/QuantumESPRESSOBase/nH4ko/src/Inputs/PWscf/namelists.jl:134 overwritten at /home/pkgeval/.julia/packages/StructHelpers/hTI1b/src/StructHelpers.jl:37. │ ERROR: Method overwriting is not permitted during Module precompilation. Use `__precompile__(false)` to opt-out of precompilation. └ ┌ PyQHA │ [ Info: Running `conda config --set pip_interop_enabled true --file /home/pkgeval/.julia/conda/3/x86_64/condarc-julia.yml` in root environment │ [ Info: Running `pip install git+https://github.com/MineralsCloud/qha.git@v1.0.20` in root environment │ Collecting git+https://github.com/MineralsCloud/qha.git@v1.0.20 │ Cloning https://github.com/MineralsCloud/qha.git (to revision v1.0.20) to /tmp/pip-req-build-qdkigxaj │ Running command git clone --filter=blob:none --quiet https://github.com/MineralsCloud/qha.git /tmp/pip-req-build-qdkigxaj │ Running command git checkout -q 4f02797c5cb659be6c030a8a4a4c19c5491d1132 │ Resolved https://github.com/MineralsCloud/qha.git to commit 4f02797c5cb659be6c030a8a4a4c19c5491d1132 │ Preparing metadata (setup.py): started │ Preparing metadata (setup.py): finished with status 'done' │ Collecting lazy_property (from qha==1.0.20) │ Downloading lazy_property-0.0.1-py2.py3-none-any.whl.metadata (273 bytes) │ Collecting numba (from qha==1.0.20) │ Downloading numba-0.61.0-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.whl.metadata (2.8 kB) │ Collecting mpmath (from qha==1.0.20) │ Downloading mpmath-1.3.0-py3-none-any.whl.metadata (8.6 kB) │ Requirement already satisfied: numpy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.2.3) │ Collecting pandas (from qha==1.0.20) │ Downloading pandas-2.2.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (89 kB) │ Collecting scientific-string (from qha==1.0.20) │ Downloading scientific_string-0.1.0-py3-none-any.whl.metadata (292 bytes) │ Collecting scipy (from qha==1.0.20) │ Downloading scipy-1.15.2-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (61 kB) │ Collecting text-stream (from qha==1.0.20) │ Downloading text_stream-0.2.0.tar.gz (3.3 kB) │ Preparing metadata (setup.py): started │ Preparing metadata (setup.py): finished with status 'done' │ Collecting pyyaml (from qha==1.0.20) │ Downloading PyYAML-6.0.2-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.1 kB) │ Collecting matplotlib (from qha==1.0.20) │ Downloading matplotlib-3.10.1-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (11 kB) │ Collecting seaborn (from qha==1.0.20) │ Downloading seaborn-0.13.2-py3-none-any.whl.metadata (5.4 kB) │ Collecting contourpy>=1.0.1 (from matplotlib->qha==1.0.20) │ Downloading contourpy-1.3.1-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (5.4 kB) │ Collecting cycler>=0.10 (from matplotlib->qha==1.0.20) │ Downloading cycler-0.12.1-py3-none-any.whl.metadata (3.8 kB) │ Collecting fonttools>=4.22.0 (from matplotlib->qha==1.0.20) │ Downloading fonttools-4.56.0-cp312-cp312-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (101 kB) │ Collecting kiwisolver>=1.3.1 (from 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numpy-2.1.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (62 kB) │ Collecting pytz>=2020.1 (from pandas->qha==1.0.20) │ Downloading pytz-2025.1-py2.py3-none-any.whl.metadata (22 kB) │ Collecting tzdata>=2022.7 (from pandas->qha==1.0.20) │ Downloading tzdata-2025.1-py2.py3-none-any.whl.metadata (1.4 kB) │ Collecting six>=1.5 (from python-dateutil>=2.7->matplotlib->qha==1.0.20) │ Downloading six-1.17.0-py2.py3-none-any.whl.metadata (1.7 kB) │ Downloading lazy_property-0.0.1-py2.py3-none-any.whl (2.4 kB) │ Downloading matplotlib-3.10.1-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (8.6 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 8.6/8.6 MB 31.3 MB/s eta 0:00:00 │ Downloading mpmath-1.3.0-py3-none-any.whl (536 kB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 536.2/536.2 kB 16.6 MB/s eta 0:00:00 │ Downloading numba-0.61.0-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.whl (3.9 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.9/3.9 MB 56.2 MB/s eta 0:00:00 │ Downloading numpy-2.1.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (16.0 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 16.0/16.0 MB 62.8 MB/s eta 0:00:00 │ Downloading pandas-2.2.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (12.7 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 12.7/12.7 MB 118.1 MB/s eta 0:00:00 │ Downloading PyYAML-6.0.2-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (767 kB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 767.5/767.5 kB 54.2 MB/s eta 0:00:00 │ Downloading scientific_string-0.1.0-py3-none-any.whl (4.0 kB) │ Downloading scipy-1.15.2-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (37.3 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 37.3/37.3 MB 65.6 MB/s eta 0:00:00 │ Downloading seaborn-0.13.2-py3-none-any.whl (294 kB) │ Downloading contourpy-1.3.1-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (323 kB) │ Downloading cycler-0.12.1-py3-none-any.whl (8.3 kB) │ Downloading fonttools-4.56.0-cp312-cp312-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (4.9 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.9/4.9 MB 118.0 MB/s eta 0:00:00 │ Downloading kiwisolver-1.4.8-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 87.3 MB/s eta 0:00:00 │ Downloading llvmlite-0.44.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (42.4 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 42.4/42.4 MB 128.2 MB/s eta 0:00:00 │ Downloading pillow-11.1.0-cp312-cp312-manylinux_2_28_x86_64.whl (4.5 MB) │ ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.5/4.5 MB 125.6 MB/s eta 0:00:00 │ Downloading pyparsing-3.2.1-py3-none-any.whl (107 kB) │ Downloading python_dateutil-2.9.0.post0-py2.py3-none-any.whl (229 kB) │ Downloading pytz-2025.1-py2.py3-none-any.whl (507 kB) │ Downloading tzdata-2025.1-py2.py3-none-any.whl (346 kB) │ Downloading six-1.17.0-py2.py3-none-any.whl (11 kB) │ Building wheels for collected packages: qha, text-stream │ Building wheel for qha (setup.py): started │ Building wheel for qha (setup.py): finished with status 'done' │ Created wheel for qha: filename=qha-1.0.20-py3-none-any.whl size=57117 sha256=81aa08aa388216253b4a6eaa6ebbf2ab8c9fa22ea568cbdaa265aa0b205c5675 │ Stored in directory: /tmp/pip-ephem-wheel-cache-zvxl95iy/wheels/a4/27/cc/373477d94235056992d8c6b9be80cd77bd6b507c84b1657ce1 │ Building wheel for text-stream (setup.py): started │ Building wheel for text-stream (setup.py): finished with status 'done' │ Created wheel for text-stream: filename=text_stream-0.2.0-py3-none-any.whl size=4099 sha256=fa2a41a813930df3320d5ef96956cd7b41870b0e43676c93b3f514bb3ac20537 │ Stored in directory: /home/pkgeval/.cache/pip/wheels/13/5a/ee/2701513b92267f7da734705913d5bd744dd7582a075167db3f │ Successfully built qha text-stream │ Installing collected packages: text-stream, scientific-string, pytz, mpmath, lazy_property, tzdata, six, pyyaml, pyparsing, pillow, numpy, llvmlite, kiwisolver, fonttools, cycler, scipy, python-dateutil, numba, contourpy, pandas, matplotlib, seaborn, qha │ Attempting uninstall: numpy │ Found existing installation: numpy 2.2.3 │ Uninstalling numpy-2.2.3: │ Successfully uninstalled numpy-2.2.3 │ Successfully installed contourpy-1.3.1 cycler-0.12.1 fonttools-4.56.0 kiwisolver-1.4.8 lazy_property-0.0.1 llvmlite-0.44.0 matplotlib-3.10.1 mpmath-1.3.0 numba-0.61.0 numpy-2.1.3 pandas-2.2.3 pillow-11.1.0 pyparsing-3.2.1 python-dateutil-2.9.0.post0 pytz-2025.1 pyyaml-6.0.2 qha-1.0.20 scientific-string-0.1.0 scipy-1.15.2 seaborn-0.13.2 six-1.17.0 text-stream-0.2.0 tzdata-2025.1 └ ┌ PyFortran90Namelists │ [ Info: Running `conda config --add channels conda-forge --file /home/pkgeval/.julia/conda/3/x86_64/condarc-julia.yml --force` in root environment │ /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3. │ │ To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels: │ │ conda config --add channels defaults │ │ For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html │ │ deprecated.topic( └ ┌ Roots │ WARNING: method definition for #init_state!#5 at /home/pkgeval/.julia/packages/Roots/6cvBF/src/find_zero.jl:125 declares type variable S but does not use it. │ WARNING: method definition for #init_state!#5 at /home/pkgeval/.julia/packages/Roots/6cvBF/src/find_zero.jl:125 declares type variable T but does not use it. │ WARNING: method definition for #find_zero#22 at /home/pkgeval/.julia/packages/Roots/6cvBF/src/bracketing.jl:303 declares type variable M but does not use it. └ ┌ QuantumESPRESSOBase │ WARNING: Method definition (::Type{QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist})(QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist) in module PWscf at /home/pkgeval/.julia/packages/QuantumESPRESSOBase/nH4ko/src/Inputs/PWscf/namelists.jl:134 overwritten at /home/pkgeval/.julia/packages/StructHelpers/hTI1b/src/StructHelpers.jl:37. │ ERROR: Method overwriting is not permitted during Module precompilation. Use `__precompile__(false)` to opt-out of precompilation. └ ┌ QuantumESPRESSOParser │ WARNING: Method definition (::Type{QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist})(QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist) in module PWscf at /home/pkgeval/.julia/packages/QuantumESPRESSOBase/nH4ko/src/Inputs/PWscf/namelists.jl:134 overwritten at /home/pkgeval/.julia/packages/StructHelpers/hTI1b/src/StructHelpers.jl:37. │ ERROR: Method overwriting is not permitted during Module precompilation. Use `__precompile__(false)` to opt-out of precompilation. └ ┌ Formatting │ ┌ Warning: DEPRECATION NOTICE │ │ │ │ Formatting.jl has been unmaintained for a while, with some serious │ │ correctness bugs compromising the original purpose of the package. As a result, │ │ it has been deprecated - consider using an alternative, such as │ │ `Format.jl` (https://github.com/JuliaString/Format.jl) or the `Printf` stdlib directly. │ │ │ │ If you are not using Formatting.jl as a direct dependency, please consider │ │ opening an issue on any packages you are using that do use it as a dependency. │ │ From Julia 1.9 onwards, you can query `]why Formatting` to figure out which │ │ package originally brings it in as a dependency. │ └ @ Formatting ~/.julia/packages/Formatting/3VxOt/src/Formatting.jl:12 └ ┌ DataFrames │ WARNING: method definition for #DataFrame#200 at /home/pkgeval/.julia/packages/DataFrames/JZ7x5/src/dataframe/dataframe.jl:397 declares type variable T but does not use it. │ WARNING: method definition for col_ordering at /home/pkgeval/.julia/packages/DataFrames/JZ7x5/src/abstractdataframe/sort.jl:145 declares type variable O but does not use it. └ ┌ QuantumESPRESSO │ WARNING: Method definition (::Type{QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist})(QuantumESPRESSOBase.Inputs.PWscf.ControlNamelist) in module PWscf at /home/pkgeval/.julia/packages/QuantumESPRESSOBase/nH4ko/src/Inputs/PWscf/namelists.jl:134 overwritten at /home/pkgeval/.julia/packages/StructHelpers/hTI1b/src/StructHelpers.jl:37. │ ERROR: Method overwriting is not permitted during Module precompilation. Use `__precompile__(false)` to opt-out of precompilation. └ ┌ Polynomials │ WARNING: Constructor for type "Symbol" was extended in `Polynomials` without explicit qualification or import. │ NOTE: Assumed "Symbol" refers to `Base.Symbol`. This behavior is deprecated and may differ in future versions.` │ NOTE: This behavior may have differed in Julia versions prior to 1.12. │ Hint: If you intended to create a new generic function of the same name, use `function Symbol end`. │ Hint: To silence the warning, qualify `Symbol` as `Base.Symbol` or explicitly `import Base: Symbol` └ ERROR: LoadError: The following 2 direct dependencies failed to precompile: ExpressCommands Failed to precompile ExpressCommands [0fa58581-61d8-4f50-b6a2-2e2dd41ab979] to "/home/pkgeval/.julia/compiled/v1.13/ExpressCommands/jl_5OjUqQ" (ProcessExited(1)). WARNING: Constructor for type "Symbol" was extended in `Polynomials` without explicit qualification or import. NOTE: Assumed "Symbol" refers to `Base.Symbol`. This behavior is deprecated and may differ in future versions.` NOTE: This behavior may have differed in Julia versions prior to 1.12. Hint: If you intended to create a new generic function of the same name, use `function Symbol end`. Hint: To silence the warning, qualify `Symbol` as `Base.Symbol` or explicitly `import Base: Symbol` [ Info: Running `conda config --set pip_interop_enabled true --file /home/pkgeval/.julia/conda/3/x86_64/condarc-julia.yml` in root environment [ Info: Running `pip install git+https://github.com/MineralsCloud/qha.git@v1.0.20` in root environment Collecting git+https://github.com/MineralsCloud/qha.git@v1.0.20 Cloning https://github.com/MineralsCloud/qha.git (to revision v1.0.20) to /tmp/pip-req-build-ef3qpe23 Running command git clone --filter=blob:none --quiet https://github.com/MineralsCloud/qha.git /tmp/pip-req-build-ef3qpe23 Running command git checkout -q 4f02797c5cb659be6c030a8a4a4c19c5491d1132 Resolved https://github.com/MineralsCloud/qha.git to commit 4f02797c5cb659be6c030a8a4a4c19c5491d1132 Preparing metadata (setup.py): started Preparing metadata (setup.py): finished with status 'done' Requirement already satisfied: lazy_property in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.0.1) Requirement already satisfied: numba in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.61.0) Requirement already satisfied: mpmath in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (1.3.0) Requirement already satisfied: numpy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.1.3) Requirement already satisfied: pandas in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.2.3) Requirement already satisfied: scientific-string in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.1.0) Requirement already satisfied: scipy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (1.15.2) Requirement already satisfied: text-stream in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.2.0) Requirement already satisfied: pyyaml in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (6.0.2) Requirement already satisfied: matplotlib in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (3.10.1) Requirement already satisfied: seaborn in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.13.2) Requirement already satisfied: contourpy>=1.0.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (1.3.1) Requirement already satisfied: cycler>=0.10 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (0.12.1) Requirement already satisfied: fonttools>=4.22.0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (4.56.0) Requirement already satisfied: kiwisolver>=1.3.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (1.4.8) Requirement already satisfied: packaging>=20.0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (24.2) Requirement already satisfied: pillow>=8 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (11.1.0) Requirement already satisfied: pyparsing>=2.3.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (3.2.1) Requirement already satisfied: python-dateutil>=2.7 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (2.9.0.post0) Requirement already satisfied: llvmlite<0.45,>=0.44.0dev0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from numba->qha==1.0.20) (0.44.0) Requirement already satisfied: pytz>=2020.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from pandas->qha==1.0.20) (2025.1) Requirement already satisfied: tzdata>=2022.7 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from pandas->qha==1.0.20) (2025.1) Requirement already satisfied: six>=1.5 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from python-dateutil>=2.7->matplotlib->qha==1.0.20) (1.17.0) ERROR: LoadError: InitError: PyError (PyImport_ImportModule) TypingError('Failed in nopython mode pipeline (step: nopython frontend)\n\x1b[1m\x1b[1mUntyped global name \'ho_free_energy\':\x1b[0m \x1b[1m\x1b[1mCannot determine Numba type of \x1b[0m\n\x1b[1m\nFile "../../../../conda/3/x86_64/lib/python3.12/site-packages/qha/single_configuration.py", line 45:\x1b[0m\n\x1b[1mdef free_energy(temperature: Scalar, q_weights: Vector, static_energies: Vector, frequencies: Array3D,\n \n scaled_q_weights: Vector = q_weights / np.sum(q_weights)\n\x1b[1m vibrational_energies: Vector = np.dot(ho_free_energy(temperature, frequencies).sum(axis=2), scaled_q_weights)\n\x1b[0m \x1b[1m^\x1b[0m\x1b[0m\n\x1b[0m\n\x1b[0m\x1b[1mDuring: Pass nopython_type_inference\x1b[0m') File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/calculator.py", line 20, in import qha.multi_configurations.different_phonon_dos as different_phonon_dos File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/multi_configurations/different_phonon_dos.py", line 17, in from qha.single_configuration import free_energy File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/single_configuration.py", line 20, in @jit(float64[:](float64, float64[:], float64[:], float64[:, :, :], boolean), cache=True) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/decorators.py", line 232, in wrapper disp.compile(sig) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 904, in compile cres = self._compiler.compile(args, return_type) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 84, in compile raise retval File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 94, in _compile_cached retval = self._compile_core(args, return_type) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 107, in _compile_core cres = compiler.compile_extra(self.targetdescr.typing_context, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 739, in compile_extra return pipeline.compile_extra(func) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 439, in compile_extra return self._compile_bytecode() ^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 505, in _compile_bytecode return self._compile_core() ^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 484, in _compile_core raise e File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 473, in _compile_core pm.run(self.state) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 367, in run raise patched_exception File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 356, in run self._runPass(idx, pass_inst, state) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_lock.py", line 35, in _acquire_compile_lock return func(*args, **kwargs) ^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 311, in _runPass mutated |= check(pss.run_pass, internal_state) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 272, in check mangled = func(compiler_state) ^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typed_passes.py", line 112, in run_pass typemap, return_type, calltypes, errs = type_inference_stage( ^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typed_passes.py", line 91, in type_inference_stage infer.build_constraint() File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1027, in build_constraint self.constrain_statement(inst) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1389, in constrain_statement self.typeof_assign(inst) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1464, in typeof_assign self.typeof_global(inst, inst.target, value) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1564, in typeof_global typ = self.resolve_value_type(inst, gvar.value) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1485, in resolve_value_type raise TypingError(msg, loc=inst.loc) Stacktrace: [1] pyimport(name::String) @ PyCall ~/.julia/packages/PyCall/1gn3u/src/PyCall.jl:558 [2] __init__() @ PyQHA ~/.julia/packages/PyQHA/S6CTK/src/PyQHA.jl:22 [3] run_module_init(mod::Module, i::Int64) @ Base ./loading.jl:1424 [4] register_restored_modules(sv::Core.SimpleVector, pkg::Base.PkgId, path::String) @ Base ./loading.jl:1412 [5] _include_from_serialized(pkg::Base.PkgId, path::String, ocachepath::String, depmods::Vector{Any}, ignore_native::Bool; register::Bool) @ Base ./loading.jl:1300 [6] _include_from_serialized @ ./loading.jl:1246 [inlined] [7] _tryrequire_from_serialized(pkg::Base.PkgId, path::String, ocachepath::String) @ Base ./loading.jl:2014 [8] __require_prelocked(pkg::Base.PkgId, env::String) @ Base ./loading.jl:2697 [9] _require_prelocked(uuidkey::Base.PkgId, env::String) @ Base ./loading.jl:2493 [10] macro expansion @ ./loading.jl:2421 [inlined] [11] macro expansion @ ./lock.jl:376 [inlined] [12] __require(into::Module, mod::Symbol) @ Base ./loading.jl:2386 [13] #invoke_in_world#2 @ ./essentials.jl:1092 [inlined] [14] invoke_in_world @ ./essentials.jl:1088 [inlined] [15] require(into::Module, mod::Symbol) @ Base ./loading.jl:2366 [16] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:308 [17] top-level scope @ ~/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/QuasiHarmonicApproxWorkflow.jl:11 [18] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:308 [19] top-level scope @ ~/.julia/packages/Express/G2zCJ/src/Express.jl:41 [20] include(mod::Module, _path::String) @ Base ./Base.jl:307 [21] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::String) @ Base ./loading.jl:3004 [22] top-level scope @ stdin:6 [23] eval(m::Module, e::Any) @ Core ./boot.jl:488 [24] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:2855 [25] include_string @ ./loading.jl:2865 [inlined] [26] exec_options(opts::Base.JLOptions) @ Base ./client.jl:326 [27] _start() @ Base ./client.jl:560 during initialization of module PyQHA in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/actions.jl:2 in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/QuasiHarmonicApproxWorkflow.jl:1 in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/Express.jl:1 in expression starting at stdin:6 ERROR: LoadError: Failed to precompile Express [b12df14e-adf7-11e9-0606-d5813a258349] to "/home/pkgeval/.julia/compiled/v1.13/Express/jl_kHeYKU" (ProcessExited(1)). Stacktrace: [1] error(s::String) @ Base ./error.jl:44 [2] compilecache(pkg::Base.PkgId, path::String, internal_stderr::IO, internal_stdout::IO, keep_loaded_modules::Bool; flags::Cmd, cacheflags::Base.CacheFlags, reasons::Dict{String, Int64}, loadable_exts::Nothing) @ Base ./loading.jl:3291 [3] (::Base.var"#__require_prelocked##0#__require_prelocked##1"{Base.PkgId})() @ Base ./loading.jl:2682 [4] mkpidlock(f::Base.var"#__require_prelocked##0#__require_prelocked##1"{Base.PkgId}, at::String, pid::Int32; kwopts::@Kwargs{stale_age::Int64, wait::Bool}) @ FileWatching.Pidfile /opt/julia/share/julia/stdlib/v1.13/FileWatching/src/pidfile.jl:93 [5] #mkpidlock#7 @ /opt/julia/share/julia/stdlib/v1.13/FileWatching/src/pidfile.jl:88 [inlined] [6] trymkpidlock(::Function, ::Vararg{Any}; kwargs::@Kwargs{stale_age::Int64}) @ FileWatching.Pidfile /opt/julia/share/julia/stdlib/v1.13/FileWatching/src/pidfile.jl:114 [7] apply_gr_kw(::NamedTuple, ::GlobalRef, ::Any, ::Vararg{Any}) @ Base ./reflection.jl:1280 [8] #invokelatest_gr#227 @ ./reflection.jl:1288 [inlined] [9] invokelatest_gr @ ./reflection.jl:1282 [inlined] [10] maybe_cachefile_lock(f::Base.var"#__require_prelocked##0#__require_prelocked##1"{Base.PkgId}, pkg::Base.PkgId, srcpath::String; stale_age::Int64) @ Base ./loading.jl:3862 [11] maybe_cachefile_lock @ ./loading.jl:3859 [inlined] [12] __require_prelocked(pkg::Base.PkgId, env::String) @ Base ./loading.jl:2668 [13] _require_prelocked(uuidkey::Base.PkgId, env::String) @ Base ./loading.jl:2493 [14] macro expansion @ ./loading.jl:2421 [inlined] [15] macro expansion @ ./lock.jl:376 [inlined] [16] __require(into::Module, mod::Symbol) @ Base ./loading.jl:2386 [17] #invoke_in_world#2 @ ./essentials.jl:1092 [inlined] [18] invoke_in_world @ ./essentials.jl:1088 [inlined] [19] require(into::Module, mod::Symbol) @ Base ./loading.jl:2366 [20] top-level scope @ ~/.julia/packages/ExpressCommands/01lmx/src/EOS.jl:8 [21] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:308 [22] top-level scope @ ~/.julia/packages/ExpressCommands/01lmx/src/ExpressCommands.jl:92 [23] include(mod::Module, _path::String) @ Base ./Base.jl:307 [24] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing) @ Base ./loading.jl:3004 [25] top-level scope @ stdin:6 [26] eval(m::Module, e::Any) @ Core ./boot.jl:488 [27] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:2855 [28] include_string @ ./loading.jl:2865 [inlined] [29] exec_options(opts::Base.JLOptions) @ Base ./client.jl:326 [30] _start() @ Base ./client.jl:560 in expression starting at /home/pkgeval/.julia/packages/ExpressCommands/01lmx/src/EOS.jl:1 in expression starting at /home/pkgeval/.julia/packages/ExpressCommands/01lmx/src/ExpressCommands.jl:1 in expression starting at stdin:6 Express Failed to precompile Express [b12df14e-adf7-11e9-0606-d5813a258349] to "/home/pkgeval/.julia/compiled/v1.13/Express/jl_Ri5Hqz" (ProcessExited(1)). WARNING: Constructor for type "Symbol" was extended in `Polynomials` without explicit qualification or import. NOTE: Assumed "Symbol" refers to `Base.Symbol`. This behavior is deprecated and may differ in future versions.` NOTE: This behavior may have differed in Julia versions prior to 1.12. Hint: If you intended to create a new generic function of the same name, use `function Symbol end`. Hint: To silence the warning, qualify `Symbol` as `Base.Symbol` or explicitly `import Base: Symbol` [ Info: Running `conda config --set pip_interop_enabled true --file /home/pkgeval/.julia/conda/3/x86_64/condarc-julia.yml` in root environment [ Info: Running `pip install git+https://github.com/MineralsCloud/qha.git@v1.0.20` in root environment Collecting git+https://github.com/MineralsCloud/qha.git@v1.0.20 Cloning https://github.com/MineralsCloud/qha.git (to revision v1.0.20) to /tmp/pip-req-build-siihqere Running command git clone --filter=blob:none --quiet https://github.com/MineralsCloud/qha.git /tmp/pip-req-build-siihqere Running command git checkout -q 4f02797c5cb659be6c030a8a4a4c19c5491d1132 Resolved https://github.com/MineralsCloud/qha.git to commit 4f02797c5cb659be6c030a8a4a4c19c5491d1132 Preparing metadata (setup.py): started Preparing metadata (setup.py): finished with status 'done' Requirement already satisfied: lazy_property in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.0.1) Requirement already satisfied: numba in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.61.0) Requirement already satisfied: mpmath in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (1.3.0) Requirement already satisfied: numpy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.1.3) Requirement already satisfied: pandas in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (2.2.3) Requirement already satisfied: scientific-string in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.1.0) Requirement already satisfied: scipy in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (1.15.2) Requirement already satisfied: text-stream in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.2.0) Requirement already satisfied: pyyaml in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (6.0.2) Requirement already satisfied: matplotlib in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (3.10.1) Requirement already satisfied: seaborn in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from qha==1.0.20) (0.13.2) Requirement already satisfied: contourpy>=1.0.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (1.3.1) Requirement already satisfied: cycler>=0.10 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (0.12.1) Requirement already satisfied: fonttools>=4.22.0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (4.56.0) Requirement already satisfied: kiwisolver>=1.3.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (1.4.8) Requirement already satisfied: packaging>=20.0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (24.2) Requirement already satisfied: pillow>=8 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (11.1.0) Requirement already satisfied: pyparsing>=2.3.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (3.2.1) Requirement already satisfied: python-dateutil>=2.7 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from matplotlib->qha==1.0.20) (2.9.0.post0) Requirement already satisfied: llvmlite<0.45,>=0.44.0dev0 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from numba->qha==1.0.20) (0.44.0) Requirement already satisfied: pytz>=2020.1 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from pandas->qha==1.0.20) (2025.1) Requirement already satisfied: tzdata>=2022.7 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from pandas->qha==1.0.20) (2025.1) Requirement already satisfied: six>=1.5 in /home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages (from python-dateutil>=2.7->matplotlib->qha==1.0.20) (1.17.0) ERROR: LoadError: InitError: PyError (PyImport_ImportModule) TypingError('Failed in nopython mode pipeline (step: nopython frontend)\n\x1b[1m\x1b[1mUntyped global name \'ho_free_energy\':\x1b[0m \x1b[1m\x1b[1mCannot determine Numba type of \x1b[0m\n\x1b[1m\nFile "../../../../conda/3/x86_64/lib/python3.12/site-packages/qha/single_configuration.py", line 45:\x1b[0m\n\x1b[1mdef free_energy(temperature: Scalar, q_weights: Vector, static_energies: Vector, frequencies: Array3D,\n \n scaled_q_weights: Vector = q_weights / np.sum(q_weights)\n\x1b[1m vibrational_energies: Vector = np.dot(ho_free_energy(temperature, frequencies).sum(axis=2), scaled_q_weights)\n\x1b[0m \x1b[1m^\x1b[0m\x1b[0m\n\x1b[0m\n\x1b[0m\x1b[1mDuring: Pass nopython_type_inference\x1b[0m') File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/calculator.py", line 20, in import qha.multi_configurations.different_phonon_dos as different_phonon_dos File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/multi_configurations/different_phonon_dos.py", line 17, in from qha.single_configuration import free_energy File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/qha/single_configuration.py", line 20, in @jit(float64[:](float64, float64[:], float64[:], float64[:, :, :], boolean), cache=True) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/decorators.py", line 232, in wrapper disp.compile(sig) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 904, in compile cres = self._compiler.compile(args, return_type) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 84, in compile raise retval File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 94, in _compile_cached retval = self._compile_core(args, return_type) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/dispatcher.py", line 107, in _compile_core cres = compiler.compile_extra(self.targetdescr.typing_context, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 739, in compile_extra return pipeline.compile_extra(func) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 439, in compile_extra return self._compile_bytecode() ^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 505, in _compile_bytecode return self._compile_core() ^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 484, in _compile_core raise e File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler.py", line 473, in _compile_core pm.run(self.state) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 367, in run raise patched_exception File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 356, in run self._runPass(idx, pass_inst, state) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_lock.py", line 35, in _acquire_compile_lock return func(*args, **kwargs) ^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 311, in _runPass mutated |= check(pss.run_pass, internal_state) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/compiler_machinery.py", line 272, in check mangled = func(compiler_state) ^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typed_passes.py", line 112, in run_pass typemap, return_type, calltypes, errs = type_inference_stage( ^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typed_passes.py", line 91, in type_inference_stage infer.build_constraint() File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1027, in build_constraint self.constrain_statement(inst) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1389, in constrain_statement self.typeof_assign(inst) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1464, in typeof_assign self.typeof_global(inst, inst.target, value) File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1564, in typeof_global typ = self.resolve_value_type(inst, gvar.value) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/pkgeval/.julia/conda/3/x86_64/lib/python3.12/site-packages/numba/core/typeinfer.py", line 1485, in resolve_value_type raise TypingError(msg, loc=inst.loc) Stacktrace: [1] pyimport(name::String) @ PyCall ~/.julia/packages/PyCall/1gn3u/src/PyCall.jl:558 [2] __init__() @ PyQHA ~/.julia/packages/PyQHA/S6CTK/src/PyQHA.jl:22 [3] run_module_init(mod::Module, i::Int64) @ Base ./loading.jl:1424 [4] register_restored_modules(sv::Core.SimpleVector, pkg::Base.PkgId, path::String) @ Base ./loading.jl:1412 [5] _include_from_serialized(pkg::Base.PkgId, path::String, ocachepath::String, depmods::Vector{Any}, ignore_native::Bool; register::Bool) @ Base ./loading.jl:1300 [6] _include_from_serialized @ ./loading.jl:1246 [inlined] [7] _tryrequire_from_serialized(pkg::Base.PkgId, path::String, ocachepath::String) @ Base ./loading.jl:2014 [8] __require_prelocked(pkg::Base.PkgId, env::String) @ Base ./loading.jl:2697 [9] _require_prelocked(uuidkey::Base.PkgId, env::String) @ Base ./loading.jl:2493 [10] macro expansion @ ./loading.jl:2421 [inlined] [11] macro expansion @ ./lock.jl:376 [inlined] [12] __require(into::Module, mod::Symbol) @ Base ./loading.jl:2386 [13] #invoke_in_world#2 @ ./essentials.jl:1092 [inlined] [14] invoke_in_world @ ./essentials.jl:1088 [inlined] [15] require(into::Module, mod::Symbol) @ Base ./loading.jl:2366 [16] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:308 [17] top-level scope @ ~/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/QuasiHarmonicApproxWorkflow.jl:11 [18] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:308 [19] top-level scope @ ~/.julia/packages/Express/G2zCJ/src/Express.jl:41 [20] include(mod::Module, _path::String) @ Base ./Base.jl:307 [21] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing) @ Base ./loading.jl:3004 [22] top-level scope @ stdin:6 [23] eval(m::Module, e::Any) @ Core ./boot.jl:488 [24] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:2855 [25] include_string @ ./loading.jl:2865 [inlined] [26] exec_options(opts::Base.JLOptions) @ Base ./client.jl:326 [27] _start() @ Base ./client.jl:560 during initialization of module PyQHA in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/actions.jl:2 in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/QuasiHarmonicApproxWorkflow/QuasiHarmonicApproxWorkflow.jl:1 in expression starting at /home/pkgeval/.julia/packages/Express/G2zCJ/src/Express.jl:1 in expression starting at stdin:6 in expression starting at /home/pkgeval/.julia/packages/ExpressCommands/01lmx/deps/build.jl:1 Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Types.jl:68 [2] (::Pkg.Operations.var"#128#129"{Bool, Pkg.Types.Context, String, Pkg.Types.PackageSpec, String})() @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:1429 [3] withenv(::Pkg.Operations.var"#128#129"{Bool, Pkg.Types.Context, String, Pkg.Types.PackageSpec, String}, ::Pair{String, String}, ::Vararg{Pair{String}}) @ Base ./env.jl:265 [4] (::Pkg.Operations.var"#188#189"{String, Pkg.Types.EnvCache, Bool, Bool, Bool, Pkg.Operations.var"#128#129"{Bool, Pkg.Types.Context, String, Pkg.Types.PackageSpec, String}, Pkg.Types.Context, Pkg.Types.PackageSpec})() @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2165 [5] with_temp_env(fn::Pkg.Operations.var"#188#189"{String, Pkg.Types.EnvCache, Bool, Bool, Bool, Pkg.Operations.var"#128#129"{Bool, Pkg.Types.Context, String, Pkg.Types.PackageSpec, String}, Pkg.Types.Context, Pkg.Types.PackageSpec}, temp_env::String) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2023 [6] (::Pkg.Operations.var"#184#185"{Dict{String, Any}, Bool, Bool, Bool, Pkg.Operations.var"#128#129"{Bool, Pkg.Types.Context, String, Pkg.Types.PackageSpec, String}, Pkg.Types.Context, Pkg.Types.PackageSpec, String, String})(tmp::String) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2132 [7] mktempdir(fn::Pkg.Operations.var"#184#185"{Dict{String, Any}, Bool, Bool, Bool, Pkg.Operations.var"#128#129"{Bool, Pkg.Types.Context, String, Pkg.Types.PackageSpec, String}, Pkg.Types.Context, Pkg.Types.PackageSpec, String, String}, parent::String; prefix::String) @ Base.Filesystem ./file.jl:899 [8] mktempdir(fn::Function, parent::String) @ Base.Filesystem ./file.jl:895 [9] #sandbox#180 @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2079 [inlined] [10] build_versions(ctx::Pkg.Types.Context, uuids::Set{UUID}; verbose::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:1410 [11] build_versions @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:1328 [inlined] [12] add(ctx::Pkg.Types.Context, pkgs::Vector{Pkg.Types.PackageSpec}, new_git::Set{UUID}; allow_autoprecomp::Bool, preserve::Pkg.Types.PreserveLevel, platform::Base.BinaryPlatforms.Platform, target::Symbol) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:1705 [13] add @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:1652 [inlined] [14] add(ctx::Pkg.Types.Context, pkgs::Vector{Pkg.Types.PackageSpec}; preserve::Pkg.Types.PreserveLevel, platform::Base.BinaryPlatforms.Platform, target::Symbol, allow_autoprecomp::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:317 [15] add(pkgs::Vector{Pkg.Types.PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:164 [16] add(pkgs::Vector{Pkg.Types.PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:153 [17] add(pkg::Pkg.Types.PackageSpec) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:151 [18] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:112 [19] include(mod::Module, _path::String) @ Base ./Base.jl:307 [20] exec_options(opts::Base.JLOptions) @ Base ./client.jl:328 [21] _start() @ Base ./client.jl:560 in expression starting at /PkgEval.jl/scripts/evaluate.jl:109 PkgEval skipped after 2020.1s: package could not be installed