ReactionMechanismGenerator / T3

The Tandem Tool (T3) for automated chemical kinetic model development
https://reactionmechanismgenerator.github.io/T3/
MIT License
12 stars 5 forks source link

Updating Docker Image and Docker CI #134

Closed calvinp0 closed 1 year ago

calvinp0 commented 1 year ago

Needed to add in ARC/AutoTST and TS-GCN into bashrc path To ensure that the docker image remains up to date, the docker ci will run every 7 days

codecov-commenter commented 1 year ago

Codecov Report

Merging #134 (c5ea208) into main (2de3b76) will increase coverage by 0.24%. Report is 61 commits behind head on main. The diff coverage is 18.18%.

@@            Coverage Diff             @@
##             main     #134      +/-   ##
==========================================
+ Coverage   73.46%   73.71%   +0.24%     
==========================================
  Files          22       22              
  Lines        2891     2891              
  Branches      762      725      -37     
==========================================
+ Hits         2124     2131       +7     
+ Misses        552      546       -6     
+ Partials      215      214       -1     
Flag Coverage Δ
unittests 73.71% <18.18%> (?)

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Files Coverage Δ
t3/logger.py 60.00% <ø> (-1.09%) :arrow_down:
t3/settings/t3_settings.py 100.00% <ø> (ø)
t3/settings/t3_submit.py 100.00% <ø> (ø)
t3/runners/rmg_runner.py 34.37% <0.00%> (ø)
t3/imports.py 30.00% <40.00%> (ø)
t3/simulate/rmg_constantTP.py 58.41% <0.00%> (ø)

... and 2 files with indirect coverage changes

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