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Don't call a subprocess with VASP custodian #1850
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1850 +/- ##
==========================================
- Coverage 99.40% 99.37% -0.04%
==========================================
Files 81 81
Lines 3190 3181 -9
==========================================
- Hits 3171 3161 -10
- Misses 19 20 +1 ☔ View full report in Codecov by Sentry. |
Summary of Changes
Call Custodian directly rather than via a subprocess for VASP.
FYI: @zulissimeta, I had to revert this PR due to issues with concurrent calculations in certain workflow engines. Once we solve the upstream issue in Custodian, I can re-merge this PR.
Requires:
os.chdir
#1821Checklist
main
.Notes