Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

ACEatoms doesn't precompile #20

Open
davkovacs opened this issue Mar 22, 2022 · 6 comments
Open

ACEatoms doesn't precompile #20

davkovacs opened this issue Mar 22, 2022 · 6 comments

Comments

@davkovacs
Copy link
Collaborator

I have updated things to the latest ACE and ACEatoms, and it doesn't precompile for me:

julia> using ACEatoms
[ Info: Precompiling ACEatoms [1e34e032-0b37-4839-a012-196b35408c3c]
ERROR: LoadError: ArgumentError: invalid type for argument Rn in method definition for cutoff at /home/dpk25/.julia/dev/ACEatoms/src/siteenergy.jl:18
Stacktrace:
  [1] top-level scope
    @ ~/.julia/dev/ACEatoms/src/siteenergy.jl:18
  [2] include(mod::Module, _path::String)
    @ Base ./Base.jl:418
  [3] include(x::String)
    @ ACEatoms ~/.julia/dev/ACEatoms/src/ACEatoms.jl:2
  [4] top-level scope
    @ ~/.julia/dev/ACEatoms/src/ACEatoms.jl:25
  [5] include
    @ ./Base.jl:418 [inlined]
  [6] 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, UInt64}}, source::Nothing)
    @ Base ./loading.jl:1318
  [7] top-level scope
    @ none:1
  [8] eval
    @ ./boot.jl:373 [inlined]
  [9] eval(x::Expr)
    @ Base.MainInclude ./client.jl:453
 [10] top-level scope
    @ none:1
in expression starting at /home/dpk25/.julia/dev/ACEatoms/src/siteenergy.jl:18
in expression starting at /home/dpk25/.julia/dev/ACEatoms/src/ACEatoms.jl:2
ERROR: Failed to precompile ACEatoms [1e34e032-0b37-4839-a012-196b35408c3c] to /home/dpk25/.julia/compiled/v1.7/ACEatoms/jl_5EgFDN.

my environment is:

[3e8ccfd2] ACE v0.12.34
[1e34e032] ACEatoms v0.0.12 `~/.julia/dev/ACEatoms`
[51974c44] ASE v0.5.4
[7073ff75] IJulia v1.23.2
[3002bd4c] IPFitting v0.5.1 `~/.julia/dev/IPFitting`
[945c410c] JuLIP v0.13.3
[438e738f] PyCall v1.93.0

Can someone please try to reproduce this in their environment to see if the problem is in the code or in my environment?

@davkovacs
Copy link
Collaborator Author

I just found the problem, the newest ACE.jl doesn't have Rn1pBasis

@cortner
Copy link
Member

cortner commented Mar 22, 2022

Unless you are on my development branch that seems very unlikely. But I'll take a look at what happened.

@davkovacs
Copy link
Collaborator Author

davkovacs commented Mar 22, 2022

The problem is with compatibility with ACE version 0.12.34, 0.12.33 of ACE works, the problem is with the merge of the removal of the Rn1pBasis which is used in the siteenergy.jl of ACEatoms

@cortner
Copy link
Member

cortner commented Mar 22, 2022

Ok - it is there but not exported. I'm in the middle of a pretty significant restructuring and 12.34 is the first step towards that. You can just constrain the version to 12.33 and wait until I've cleaned up some stuff. Also the arguments to the construction of these bases might be changing. I thought I flagged to a few people to stick with 12.33, but maybe I thought you wouldn't be affected and forgot.

@cortner
Copy link
Member

cortner commented Mar 22, 2022

Please just put a version bound for now. There is no new functionality in 12.34.

@davkovacs
Copy link
Collaborator Author

No problem, I will just stick to 0.12.33.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants