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Check full INCAR by default in mock_vasp fixture #551

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merged 6 commits into from
Oct 11, 2023

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janosh
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@janosh janosh commented Oct 4, 2023

Closes #549.

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codecov bot commented Oct 4, 2023

Codecov Report

Merging #551 (18cef6a) into main (56bae2c) will increase coverage by 0.02%.
The diff coverage is 64.00%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #551      +/-   ##
==========================================
+ Coverage   75.56%   75.59%   +0.02%     
==========================================
  Files          77       77              
  Lines        6674     6674              
  Branches      986      986              
==========================================
+ Hits         5043     5045       +2     
+ Misses       1325     1323       -2     
  Partials      306      306              
Files Coverage Δ
src/atomate2/common/schemas/cclib.py 77.55% <100.00%> (ø)
src/atomate2/cp2k/schemas/task.py 82.56% <100.00%> (ø)
src/atomate2/lobster/schemas.py 92.74% <100.00%> (ø)
src/atomate2/vasp/jobs/defect.py 100.00% <100.00%> (ø)
src/atomate2/amset/schemas.py 0.00% <0.00%> (ø)
src/atomate2/cp2k/sets/base.py 64.15% <85.71%> (+0.47%) ⬆️
src/atomate2/vasp/sets/base.py 73.63% <83.33%> (+0.24%) ⬆️
src/atomate2/cp2k/run.py 46.66% <0.00%> (ø)
src/atomate2/lobster/run.py 50.00% <0.00%> (ø)
src/atomate2/vasp/run.py 40.00% <0.00%> (ø)

@janosh
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janosh commented Oct 4, 2023

The drop in test coverage seems like a mistake on codecov's part.

@janosh janosh merged commit afcce84 into main Oct 11, 2023
6 of 7 checks passed
@janosh janosh deleted the mock_vasp_check_full_incar branch October 11, 2023 02:08
@Andrew-S-Rosen
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Codecov has been killing me lately with the faulty uploads...

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janosh commented Oct 11, 2023

Something is off after this merge. CI is failing to install some package I've never heard of:

Downloading cffi-1.16.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (443 kB)
   ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 443.4/443.4 kB 82.9 MB/s eta 0:00:00
ERROR: THESE PACKAGES DO NOT MATCH THE HASHES FROM THE REQUIREMENTS FILE. If you have updated the package versions, please update the hashes. Otherwise, examine the package contents carefully; someone may have tampered with them.
    unknown package:
        Expected sha256 c8f9b8e3f5684c2ae697e670376465cbf0c94aefff3f659b110541c647f126d1
             Got        d0d0bf8d8939809f894fd3eb144a16c19a3d72f2764f779885729eaf0803bf53

@utf utf added the house-keeping Formatting and code quality tweaks label Oct 21, 2023
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mock_vasp should default to assert all INCAR tags match reference files
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