Support dev version of ASE
Codecov Report
Attention: Patch coverage is 60.00000% with 2 lines in your changes missing coverage. Please review.
Project coverage is 97.36%. Comparing base (
2970a58) to head (2a7a994). Report is 5 commits behind head on main.
| Files with missing lines | Patch % | Lines |
|---|---|---|
| src/quacc/calculators/vasp/vasp.py | 60.00% | 2 Missing :warning: |
Additional details and impacted files
@@ Coverage Diff @@
## main #2384 +/- ##
==========================================
+ Coverage 97.33% 97.36% +0.02%
==========================================
Files 85 85
Lines 3566 3566
==========================================
+ Hits 3471 3472 +1
+ Misses 95 94 -1
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@tomdemeyere: FYI that something seems broken with the Espresso output reader and the dev version of ASE as noted here. I'm not quite sure what yet. But just keeping you in the loop.
@Andrew-S-Rosen
This is ASE related. A recent PR (https://gitlab.com/ase/ase/-/merge_requests/3527) changed how the reader is supposed to read lattice parameters (alat specifically), now a None is moving around, until this line complains.
I will think on how to fix it
Turning the one failing test to skip since it's an upstream ASE issue and I need to support ASE 3.24.0 more broadly.