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add command line interface #33

Merged
merged 26 commits into from
Dec 12, 2023
Merged

add command line interface #33

merged 26 commits into from
Dec 12, 2023

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Yi-FanLi
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@Yi-FanLi Yi-FanLi commented Dec 6, 2023

This PR adds a CLI for dpti. Also, setup.py is migrated to pyproject.toml.

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codecov bot commented Dec 12, 2023

Codecov Report

Attention: 323 lines in your changes are missing coverage. Please review.

Comparison is base (b719828) 37.89% compared to head (6d7fce5) 38.03%.

Files Patch % Lines
dpti/hti_ice.py 14.01% 92 Missing ⚠️
dpti/hti_water.py 16.66% 65 Missing ⚠️
dpti/ti_water.py 25.49% 38 Missing ⚠️
dpti/equi.py 25.00% 27 Missing ⚠️
dpti/main.py 0.00% 26 Missing ⚠️
dpti/ti.py 20.68% 23 Missing ⚠️
dpti/gdi.py 9.52% 19 Missing ⚠️
dpti/hti.py 17.39% 19 Missing ⚠️
dpti/hti_liq.py 22.22% 14 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel      #33      +/-   ##
==========================================
+ Coverage   37.89%   38.03%   +0.14%     
==========================================
  Files          22       24       +2     
  Lines        5291     5366      +75     
==========================================
+ Hits         2005     2041      +36     
- Misses       3286     3325      +39     

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@Yi-FanLi Yi-FanLi merged commit 990c310 into deepmodeling:devel Dec 12, 2023
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@njzjz njzjz mentioned this pull request Dec 14, 2023
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