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MRChemSoft / mrchem

MultiResolution Chemistry
GNU Lesser General Public License v3.0
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Fix runtime failure while reading basis set for SAD guess #344

Closed robertodr closed 3 years ago

robertodr commented 3 years ago

This somehow only manifests in the Conda package... Go figure! :man_shrugging:

robertodr commented 3 years ago

Please squash the history, the commit message are utterly silly!

robertodr commented 3 years ago

And the new version of Minazo doesn't work.

codecov[bot] commented 3 years ago

Codecov Report

Merging #344 (8a17671) into master (ccde065) will decrease coverage by 0.04%. The diff coverage is 52.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #344      +/-   ##
==========================================
- Coverage   67.71%   67.66%   -0.05%     
==========================================
  Files         160      160              
  Lines       12314    12334      +20     
==========================================
+ Hits         8338     8346       +8     
- Misses       3976     3988      +12
Impacted Files Coverage Δ
src/utils/gto_utils/Intgrl.h 100.00% <ø> (ø)
src/utils/print_utils.cpp 87.50% <33.33%> (-8.87%) :arrow_down:
src/initial_guess/sad.cpp 100.00% <100.00%> (ø)
src/utils/gto_utils/Intgrl.cpp 81.57% <100.00%> (ø)

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robertodr commented 3 years ago

Minazo has some issues running its checks. I can't debug it right now though.

robertodr commented 3 years ago

This one is ready. The bot fails for reasons unrelated to this PR and I can't manage to fix it.

robertodr commented 3 years ago

Yes it does.

On Mon, Nov 16, 2020, 17:39 Stig Rune Jensen notifications@github.com wrote:

@stigrj approved this pull request.

So does this solve the conda problem?

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