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globus-labs / mof-generation-at-scale / 14972354499 / 1
48%
main: 48%

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DEFAULT BRANCH: main
Ran 12 May 2025 12:43PM UTC
Files 88
Run time 1s
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09 May 2025 09:48PM UTC coverage: 46.25% (+0.5%) from 45.731%
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Run gRASPA (not RASPA) on Polaris (#156)

* Break config out into a separate object

* Flake8 and test fixes

* Move definition of which RASPA to the system definition

* Started to port the run script, before I ran into #157

* Switch to using run_dir as class attribute

* Make a common class for DFT runners

* Add a file I accidentally deleted

* Make the DFT code configurable

* Start documentation on how to run MOFA

* Bug fixes in run scripts

* Tweaking installation files

Type errors, needing absolute paths, flake8 problems

* Be more resilient to typing differences

* Fix typo

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