Installing ACEpotentials.jl on Julia < 1.9 fails.

[od-qmul]

I get this error when I try to perform the add ACEpotentials step in the installation instructions

add ACEpotentials
Updating registry at ~/.julia/registries/ACE
Updating git-repo https://github.com/ACEsuit/ACEregistry
Updating registry at ~/.julia/registries/General
Updating git-repo https://github.com/JuliaRegistries/General
Resolving package versions...
ERROR: Unsatisfiable requirements detected for package ACE1x [5cc4c08c]:
ACE1x [5cc4c08c] log:
├─possible versions are: 0.0.1-0.1.8 or uninstalled
├─restricted by compatibility requirements with ACEpotentials [3b96b61c] to versions: 0.1.7-0.1.8
│ └─ACEpotentials [3b96b61c] log:
│ ├─possible versions are: 0.6.0-0.6.2 or uninstalled
│ └─restricted to versions * by an explicit requirement, leaving only versions 0.6.0-0.6.2
└─restricted by julia compatibility requirements to versions: 0.0.1-0.1.6 or uninstalled — no versions left

I tried refollowing the installation instructions after struggling to convert a potential into lammps .yace format

[cortner]

sorry about this. I'll take a look.

[cortner]

@od-qmul -- I can't reproduce this at the moment. Can you try this again from a clean Julia project?

1. create an empty folder
2. switch to that folder, start julia (1.9 or later)
3. activate a new project in that folder ] activate .
4. add the package: add ACEpotentials

and then tell me what you get? I am wondering whether you are trying to add ACEpotentials to an existing Julia project (possible the default project) where you already have ACE1x installed and maybe pinned to some fixed version.

[cortner]

If we fail to do this quickly, then I'll put you in touch with Teemu Jarvinen who will be able to help you. I'm travelling right now ...

[wcwitt]

I’ve seen this with Julia < 1.9. (Relatedly, we should bump the requirement in ACEpotentials Project. Currently some of the dependencies require 1.9 but ACEpotentials does not explicitly.)

…

On Wed, 13 Sep 2023 at 07:53, Christoph Ortner ***@***.***> wrote: If we fail to do this quickly, then I'll put you in touch with Teemu Jarvinen who will be able to help you. I'm travelling right now ... — Reply to this email directly, view it on GitHub <#177 (reply in thread)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ACXHHTVIX2BKQMWYBPTJQ6DX2FJ7VANCNFSM6AAAAAA4VOKJTM> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.*** .com>

[cortner]

yep, you are right, I can reproduce with 1.8. I'll update the requirements and register a new version. And we should add this to the docs I guess.

[cortner]

... maybe we should also get started a FAQ section at some point ...

[cortner]

This is now fixed, in the sense that I added the version bound and fixed the documentation to state correctly that we require Julia 1.9.

Unfortunately the error message is just as cryptic as before. I'm not sure how to deal with that.

(od) pkg> add ACEpotentials
    Updating registry at `~/.julia/registries/ACE`
    Updating git-repo `https://github.com/ACEsuit/ACEregistry`
    Updating registry at `~/.julia/registries/MolSim`
    Updating git-repo `https://github.com/JuliaMolSim/MolSim.git`
    Updating registry at `~/.julia/registries/General.toml`
   Resolving package versions...
ERROR: Unsatisfiable requirements detected for package ACE1x [5cc4c08c]:
 ACE1x [5cc4c08c] log:
 ├─possible versions are: 0.0.1-0.1.8 or uninstalled
 ├─restricted by compatibility requirements with ACEpotentials [3b96b61c] to versions: 0.1.7-0.1.8
 │ └─ACEpotentials [3b96b61c] log:
 │   ├─possible versions are: 0.6.0-0.6.3 or uninstalled
 │   ├─restricted to versions * by an explicit requirement, leaving only versions 0.6.0-0.6.3
 │   └─restricted by julia compatibility requirements to versions: 0.6.0-0.6.2 or uninstalled, leaving only versions: 0.6.0-0.6.2
 └─restricted by julia compatibility requirements to versions: 0.0.1-0.1.6 or uninstalled — no versions left

[od-qmul]

Thanks Christoph, it now seems to be working and I've produced a .yace file. Now I just have to develop a potential that doesn't have eV sized errors.

I installed julia v1.9 and then I was able to add the ACEpotentials registry and it all seems to function as in the tutorials

[cortner]

keep in mind that the lammps export will produce a yace and a pair potential and the two need to be stacked.

[od-qmul]

I'll let you know if I hit any more snags