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

Spglib compat issue with 0.3.1 #34

Closed
Technici4n opened this issue Nov 8, 2023 · 6 comments
Closed

Spglib compat issue with 0.3.1 #34

Technici4n opened this issue Nov 8, 2023 · 6 comments

Comments

@Technici4n
Copy link

Hello!
When trying to integrate Wannier 0.3.1 with DFTK (JuliaMolSim/DFTK.jl#899), we noticed that DFTK requires Spglib version 0.8.4 exactly. Unfortunately, Wannier 0.3.1 still requires version 0.6 of Spglib.

Maybe you could release a 0.3.2 version of Wannier that also supports Spglib 0.7 and 0.8? :)

@qiaojunfeng
Copy link
Owner

Sure, do you need any other changes? Maybe when that PR is almost ready, we figure out all the necessary changes, and make a new release?

@Technici4n
Copy link
Author

I didn't encounter issues with 0.3.1, so just this change is enough for me at the moment at least.

@Technici4n
Copy link
Author

After a bit more thinking, a 0.3.2 release with just the spglib dependency bump would be fine if you don't mind!

@qiaojunfeng
Copy link
Owner

Thanks! Could you test this branch https://github.com/qiaojunfeng/Wannier.jl/tree/fix/spglib ?
If all things work well, I will register a new version on top of that commit.

@Technici4n
Copy link
Author

Tested and that version works :)

qiaojunfeng referenced this issue Nov 13, 2023
To be compatible with DFTK.jl interface
@qiaojunfeng
Copy link
Owner

Done! Here it is https://github.com/qiaojunfeng/Wannier.jl/releases/tag/v0.3.2

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