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cp2k / cp2k-input-tools

Fully validating pure-python CP2K input file tools including preprocessing capabilities
MIT License
47 stars 10 forks source link

`cp2k-input-tools 0.8.3` Release #92

Closed PythonFZ closed 11 months ago

PythonFZ commented 1 year ago

Hey and first of all, thanks for this great tool! We use it to make CP2k compatible with https://dvc.org/ for our research data management and parameter tracking.

We include cp2k-input-tools as a dependency in our package https://github.com/zincware/IPSuite which allows us to build the workflows and much more.

I've seen that you migrated to pydantic v2 in 3706fae40b1d79a86ce5d184dd0ca70ca141f219 . We have also updated some of our tools to use the new pydantic release.

I was wondering what criteria you have on your side until you release the next version of cp2k-input-tools? This would allow us, to also release a new version of our tool including cp2k-input-tools` on PyPi, because the package can't depend on the src.

dev-zero commented 11 months ago

Originally I wanted to resolve #34 and #43 (and with that #69) prior to the release, together with some testing of the aiida plugins depending on this package. On the other hand there is already enough change in this it seems, hence I did a v0.9.0 release now. Thanks a lot for letting me know that the package is useful!