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Error installing Packmol through Julia (unable to download/install artifact 'iso_codes') #8

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cora95 opened this issue Jan 2, 2024 · 5 comments

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@cora95
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cora95 commented Jan 2, 2024

Hi there,

Happy new year!

I am trying to install Packmol through Julia but have encountered the below error. Could you please help take a look and see what might be wrong? I am using Julia 1.10.0. on Windows 11

Unable to automatically download/install artifact 'iso_codes' from sources listed in 'C:\Users\Jianzhu.wang\.julia\packages\iso_codes_jll\wcUPz\Artifacts.toml'.
Sources attempted:
- https://pkg.julialang.org/artifact/71f68a3d55d73f2e15a3969c241fae2349b1feb5
    Error: Tree Hash Mismatch!
  Expected git-tree-sha1:   71f68a3d55d73f2e15a3969c241fae2349b1feb5
  Calculated git-tree-sha1: 409d6ac4c02dae43ff4fe576b5c5820d0386fb3f
- https://github.com/JuliaBinaryWrappers/iso_codes_jll.jl/releases/download/iso_codes-v4.11.0+0/iso_codes.v4.11.0.any.tar.gz
    Error: Tree Hash Mismatch!
  Expected git-tree-sha1:   71f68a3d55d73f2e15a3969c241fae2349b1feb5
  Calculated git-tree-sha1: 409d6ac4c02dae43ff4fe576b5c5820d0386fb3f

Stacktrace:
  [1] error(s::String)
    @ Base .\error.jl:35
  [2] ensure_artifact_installed(name::String, meta::Dict{…}, artifacts_toml::String; platform::Base.BinaryPlatforms.Platform, verbose::Bool, quiet_download::Bool, io::Base.TTY)
    @ Pkg.Artifacts C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\Artifacts.jl:422
  [3] download_artifacts(env::Pkg.Types.EnvCache; platform::Base.BinaryPlatforms.Platform, julia_version::VersionNumber, verbose::Bool, io::Base.TTY)
    @ Pkg.Operations C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\Operations.jl:755
  [4] add(ctx::Pkg.Types.Context, pkgs::Vector{…}, new_git::Set{…}; preserve::Pkg.Types.PreserveLevel, platform::Base.BinaryPlatforms.Platform)
    @ Pkg.Operations C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\Operations.jl:1394
  [5] add
    @ Pkg.Operations C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\Operations.jl:1376 [inlined]
  [6] add(ctx::Pkg.Types.Context, pkgs::Vector{…}; preserve::Pkg.Types.PreserveLevel, platform::Base.BinaryPlatforms.Platform, kwargs::@Kwargs{…})
    @ Pkg.API C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\API.jl:278
  [7] add(pkgs::Vector{Pkg.Types.PackageSpec}; io::Base.TTY, kwargs::@Kwargs{})
    @ Pkg.API C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\API.jl:159
  [8] add(pkgs::Vector{Pkg.Types.PackageSpec})
    @ Pkg.API C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\API.jl:148
  [9] add
    @ Pkg.API C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\API.jl:147 [inlined]
 [10] try_prompt_pkg_add(pkgs::Vector{Symbol})
    @ Pkg.REPLMode C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\Pkg\src\REPLMode\REPLMode.jl:729
 [11] #invokelatest#2
    @ Base .\essentials.jl:887 [inlined]
 [12] invokelatest
    @ Base .\essentials.jl:884 [inlined]
 [13] check_for_missing_packages_and_run_hooks(ast::Any)
    @ REPL C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\REPL\src\REPL.jl:174
 [14] eval_user_input(ast::Any, backend::REPL.REPLBackend, mod::Module)
    @ REPL C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\REPL\src\REPL.jl:145
 [15] repl_backend_loop(backend::REPL.REPLBackend, get_module::Function)
    @ REPL C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\REPL\src\REPL.jl:246
 [16] start_repl_backend(backend::REPL.REPLBackend, consumer::Any; get_module::Function)
    @ REPL C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\REPL\src\REPL.jl:231
 [17] run_repl(repl::REPL.AbstractREPL, consumer::Any; backend_on_current_task::Bool, backend::Any)
    @ REPL C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\REPL\src\REPL.jl:389
 [18] run_repl(repl::REPL.AbstractREPL, consumer::Any)
    @ REPL C:\Users\Jianzhu.wang\.julia\juliaup\julia-1.10.0+0.x64.w64.mingw32\share\julia\stdlib\v1.10\REPL\src\REPL.jl:375
 [19] (::Base.var"#1013#1015"{Bool, Bool, Bool})(REPL::Module)
    @ Base .\client.jl:432
 [20] #invokelatest#2
    @ Base .\essentials.jl:887 [inlined]
 [21] invokelatest
    @ Base .\essentials.jl:884 [inlined]
 [22] run_main_repl(interactive::Bool, quiet::Bool, banner::Bool, history_file::Bool, color_set::Bool)
    @ Base .\client.jl:416
 [23] exec_options(opts::Base.JLOptions)
    @ Base .\client.jl:333
 [24] _start()
    @ Base .\client.jl:552
Some type information was truncated. Use `show(err)` to see complete types.
@cora95 cora95 changed the title Error installing Packmol through Julia (unable to download/install artiface 'iso_codes') Error installing Packmol through Julia (unable to download/install artifact 'iso_codes') Jan 2, 2024
@Hamimulislam
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Hamimulislam commented Jan 2, 2024

Hi, i was having the same issue too, tried everything literally but couldn't figure out. You should use the LTS release (july 09,2022). link: https://julialang-s3.julialang.org/bin/winnt/x64/1.6/julia-1.6.7-win64.exe. it works all the same.

@cora95
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cora95 commented Jan 3, 2024

Hi, i was having the same issue too, tried everything literally but couldn't figure out. You should use the LTS release (july 09,2022). link: https://julialang-s3.julialang.org/bin/winnt/x64/1.6/julia-1.6.7-win64.exe. it works all the same.

Thank you so much! I have downloaded the LTS Julia and it is working fine for me now!

While we are here, do you by any chance know if Packmol can be used to pack salt solutions such as 5M LiPF6 water solution? How would I indicate the charge of Li+ and PF6- in the input file?

@lmiq
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lmiq commented Jan 4, 2024

This is related to this bug of Julia 1.10: JuliaLang/Pkg.jl#3643 (comment)

Until that bug is solved, any earlier Julia version should work. Using 1.9 is the most recommended workaround, but using the 1.6 LTS is fine as well.

While we are here, do you by any chance know if Packmol can be used to pack salt solutions such as 5M LiPF6 water solution? How would I indicate the charge of Li+ and PF6- in the input file?

Packmol does not deal with charges, just with the molecular geometry. So you can pack the number of ions you want, the charges will be taken care in the force field of the simulation.

ps: please open another issue for this, if you want to discuss it further.

@nhz2
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nhz2 commented Jan 12, 2024

This bug has been fixed by the new version of iso_codes_jll Ref: JuliaRegistries/General#98750

@lmiq
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lmiq commented Jan 17, 2024

This bug is fixed according to the comment above. Thanks @nhz2 . Just tested it on windows. Please let me know if this or any other installation issue persists. Thanks the original poster for reporting.

@lmiq lmiq closed this as completed Jan 17, 2024
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