Switch from deprecated phonopy dictionaries to attributes - #233
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Added extraction of thermal properties into a dictionary format for easier access. Signed-off-by: Andrew S. Rosen <asrosen93@gmail.com>
Signed-off-by: Andrew S. Rosen <asrosen93@gmail.com>
Andrew-S-Rosen
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Signed-off-by: Andrew S. Rosen <asrosen93@gmail.com>
Signed-off-by: Andrew S. Rosen <asrosen93@gmail.com>
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Looks like this causes a conflict with phono3py, which should probably be moved to an optional dependency anyway. This is all I have time for at the moment so will need to put this on pause. If others want to pick up on this, by all means go ahead. |
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Thanks, I can take over this. |
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Hi Prof. @Andrew-S-Rosen, the CI failure was because phono3py hasn't released a version supporting phonopy 4.2.x yet (the fix is in their main branch but not yet on PyPI). To get things working, I moved phono3py to an optional |
rul048
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Thanks, @rul048! That makes a lot of sense. Looks like the dev phono3py will fix things once it gets on PyPI. |
Signed-off-by: Runze Liu <146490083+rul048@users.noreply.github.com>
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phono3py has now been released on PyPI with support for phonopy 4.2.x. All CI checks are passing. Merged. |
2 participants
As of phonopy 4.2.0 (38 minutes ago), several dictionary methods were deprecated in favor of attributes. I have switched over to prevent warnings and future issues.
Edit: Not sure why tests are failing yet...