globus-labs / mof-generation-at-scale / 14972354499

48%

Build Type

push

github

Committed by web-flow

Commit Message

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

Run Details

265 of 310 new or added lines in 9 files covered. (85.48%)

2 existing lines in 1 file now uncovered.

4409 of 9533 relevant lines covered (46.25%)

0.46 hits per line