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Make libcint interface optional #166

Merged
merged 12 commits into from
Sep 18, 2024
Merged

Make libcint interface optional #166

merged 12 commits into from
Sep 18, 2024

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marvinfriede
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codecov bot commented Sep 16, 2024

Codecov Report

Attention: Patch coverage is 80.00000% with 27 lines in your changes missing coverage. Please review.

Project coverage is 82.69%. Comparing base (4562481) to head (35d5fc2).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
src/dxtb/_src/calculators/types/abc.py 85.18% 12 Missing ⚠️
src/dxtb/_src/calculators/config/integral.py 60.00% 4 Missing and 2 partials ⚠️
src/dxtb/_src/exlibs/available.py 62.50% 6 Missing ⚠️
src/dxtb/_src/integral/wrappers.py 66.66% 1 Missing and 1 partial ⚠️
src/dxtb/_src/calculators/types/autograd.py 87.50% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #166      +/-   ##
==========================================
+ Coverage   82.14%   82.69%   +0.54%     
==========================================
  Files         194      195       +1     
  Lines        9628     9706      +78     
  Branches     1460     1465       +5     
==========================================
+ Hits         7909     8026     +117     
+ Misses       1358     1329      -29     
+ Partials      361      351      -10     

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@marvinfriede marvinfriede merged commit b4e3edd into main Sep 18, 2024
66 of 67 checks passed
@marvinfriede marvinfriede deleted the optional-libcint branch September 18, 2024 01:52
@marvinfriede marvinfriede mentioned this pull request Sep 18, 2024
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