Sync with General Registry

[CarloLucibello]

Why does the general registry point to a very old version of the package? Why the need for a local registry? What makes the packages in this org different from the rest of the ecosystem? I just needed to use ASE.jl in my project and it turned out much harder than expected.

[cortner]

The MolSim registry allows us to tag versions of packages that are not suitable for general use.

I don't mind tagging ASE, JuLIP and NeighbourLists in the General registry again if there is sufficient interest.

No need to get upset about it. In the meantime using MolSim isn't all that hard - just add the registry and things will work as expected.

[CarloLucibello]

sorry, that came out a bit harsh due to a few frustrating hours trying to piece together some basic functionalities from the julia ecosystem.

Yes, I would recommend making as many repos as possible available in the General registry, even discovering the local registry takes time and creates friction for casual users, e.g. I landed on this page https://github.com/JuliaMolSim/ASE.jl without having prior knowledge about the org and took me some time to understand what was going on. Also, in my experience local registries are currently quite uncommon for publicly available packages.

Thanks for the quick reply and for the work on those repos!

[cortner]

@jameskermode - you are using General, can you advise what the best approach is?

[jameskermode]

I'd also be in favour of including up-to-date versions of ASE.jl and JuLIP.jl in the General registry. My impression is they are no longer changing that rapidly so this should work OK, but if you feel you will need to make further rapid changes within JuliaMolSim then I understand it could be preferable to keep them there exclusively (in which case removing the packages entirely from General might make sense).

Fixing ASE.jl issues #16 and #21 would resolve the biggest problems.

[cortner]

TBH - I think I'm really the only one using MolSim so I'm tempted to move ASE, JuLIP to General and all the ACE stuff into a new ACE registry, but we'll see...

In fact I think we are close to also moving ACE1.jl and ACE1pack.jl to General. It shouldn't take too much.

[cortner]

sorry for the delay on this. It took forever to register the neighbourlist (and then I was just too busy and forgot). I'll try to do the same for JuLIP and ASE over christmas and probably ACE1 very soon.