Closed unkcpz closed 1 year ago
What are the changes in SSSP v1.3?
From v1.2 -> v1.3, the pseudopotentials of elements At, Fr, Ra are added from PSlibrary. The pseudopotential of actinides are added from dataset of https://www.uni-marburg.de/de/fb15/arbeitsgruppen/anorganische_chemie/ag-kraus/forschung/paw_datasets_for_the_actinoids. Both efficiency and precision having those pseudos added. Thus I think you are right, it is good to keep the default unchanged.
But I am confusing on this https://github.com/aiidateam/aiida-pseudo/blob/b331959263efe42bd32f6639464057eb26f8db0f/src/aiida_pseudo/cli/install.py#L112
How this link know which is the latest archive and will find version.yml
from there?
But I am confusing on this
How this link know which is the latest archive and will find
version.yml
from there?
The link is permanent, and the file versions.yaml
is updated when a new SSSP version is made available. It is just mapping the minor version to the latest patch. It currently contains:
---
# This maps each minor version to the latest patch version
# corresponding to that minor version
'1.0': '1.0'
'1.1': '1.1.2'
'1.2': '1.2.1'
'1.3': '1.3.0'
It is just used to go from 1.3
to 1.3.0
in this case.
Ready for review @unkcpz or is it still blocked?
It is ready to review, I revert the change of setting default version to latest one and add a comment on the template url.
@unkcpz does the SSSP keep a CHANGELOG
somewhere? I would like to reference to it to give a summary to users of what changed.
@unkcpz does the SSSP keep a CHANGELOG somewhere? I would like to reference to it to give a summary to users of what changed.
Yes it is in https://archive.materialscloud.org/record/file?filename=CHANGELOG.txt&record_id=1732
I still need to confirm some detail of the SSSP archive.