FAIRmat-NFDI / nomad-auto-xrd / 17397484850

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Use temporal workflows for training and analysis (#27)

* Schema modifications for temporal workflows

* Add training workflow; without training module adjustments

* Training module adjustments: train - train_nomad_model

* Training module restructuring

* Entry creation using server context

* Update changes from temporal-workflows branch

* Use `.keras` extension for saved models

* Ordering ELN quantities

* Update with action naming

* Disentangle XRDAutoAnalyser from nomad

* Rename `run_analysis` to `eval`

* Add analysis action

* Separate schema for actions

* Add cif validation in training action schema

* Update training entry with reference of model entry

* Add category for Action schemas

* Misc fixes and harmonization

* Fix plot path from analysis action

* Ruff and related changes

* Restructure into common and schema_packages (#28)

* Restructure into common and schema_packages

* Update quantity paths in app

* Update action status from activity

* Labels and docstrings

* Use `upload`, instead of `upload_files`, for volume interactions

* Update nomad-lab version

* Add index url for nomad-lab dev packages: gitlab

* uv: allow prerelease

* github-actions: use uv for build-and-install action

* Fix tests; update nomad-lab

* github-actions: fix

* Ruff

* Use context update entry; fix missing data issue

* Use .h5 instead of .keras: keras models take up more space

* Get status more often

* Ruff

180 of 376 new or added lines in 14 files covered. (47.87%)

590 of 1240 relevant lines covered (47.58%)

1.43 hits per line