Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures

https://chemistryfeaturization.chemellia.org/dev/

MIT License

41 stars 14 forks source link

docs deployment #51

Closed rkurchin closed 3 years ago

rkurchin commented 3 years ago

Making a few tweaks to @thazhemadam's excellent start and then will merge this in and deploy our real docs so we can jettison the wiki ones! 😁

thazhemadam commented 3 years ago

Just a reminder to change the CI script's branch for the documentation workflow.

rkurchin commented 3 years ago

Haha thanks, just did that, then realized I hadn’t set up the gh-pages in the repo and I think I might have to trigger the build again for it to actually go…almost there!

Best, Rachel Kurchin, PhD MolSSI Postdoctoral Fellow Carnegie Mellon Mechanical Engineering and Materials Science rkurchin.github.io On Mar 18, 2021, 7:45 PM -0400, Anant Thazhemadam @.***>, wrote:

Just a reminder to change the CI script's branch for the documentation workflow. — You are receiving this because you were assigned. Reply to this email directly, view it on GitHub, or unsubscribe.

codecov-io commented 3 years ago

Codecov Report

Merging #51 (4e101ae) into main (5261341) will not change coverage. The diff coverage is 66.66%.

@@           Coverage Diff           @@
##             main      #51   +/-   ##
=======================================
  Coverage   93.44%   93.44%           
=======================================
  Files           6        6           
  Lines         412      412           
=======================================
  Hits          385      385           
  Misses         27       27

Impacted Files	Coverage Δ
src/atomgraph.jl	`86.02% <ø> (ø)`
src/atomfeat.jl	`92.80% <50.00%> (ø)`
src/pmg_graphs.jl	`98.92% <100.00%> (ø)`

Continue to review full report at Codecov.

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rkurchin commented 3 years ago

Still to do here:

[ ] update things for restructure
[ ] finish changelog
[ ] add some examples

rkurchin commented 3 years ago

@thazhemadam, I'm inclined to just merge this if you think the general skeleton is okay. It's getting painful to rebase because it's kind of old. We can fill in the other gaps in a smaller PR.

thazhemadam commented 3 years ago

I'm inclined to just merge this if you think the general skeleton is okay

@rkurchin the overall skeleton lgtm.

It's getting painful to rebase because it's kind of old.

I concur. This PR is painfully behind main and the restructure as is.

We can fill in the other gaps in a smaller PR.

NB - we should also set up doctests, and some more docstrings in the smaller PR(s).