stfc / alc-dls-exafs / 18285618628

Build # 18285618628

Build Type

push

github

Committed by web-flow

Commit Message

Average over sites + major refactor (#28)

* Remove larixite-based writer and fix some parallel handling in preparation of adding absorber averagine

* test: improve CLI color handling with module-level NO_COLOR and regex stripping

- Move NO_COLOR setup to module level for better timing vs Rich imports
- Add explicit ANSI code stripping in assertions as robust fallback

* refactor: update get_cache_key to use only FEFF calculation parameters for cache key generation

* add utility functions for Marimo notebooks and EXAFS data processing

* Major refactor to allow for more modular processing, including getting EXAFS for particular sites

* Refactor the marimo notebook to use the new pipeline

* chore: add mypy cache directory to .gitignore

* fix: formatting typo

* Move feffrunner imports and update test patches for feff_utils to fix CI issue

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Co-authored-by: Kane Shenton <jkshenton@gmail.com>

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