duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
166 stars 51 forks source link

fix compatibility with numpy v2.0 #348

Closed t-young31 closed 1 month ago

t-young31 commented 2 months ago

Resolves #347


Checklist

codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 97.39%. Comparing base (e9cebd6) to head (2ac99fb).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## v1.4.4 #348 +/- ## ======================================= Coverage 97.39% 97.39% ======================================= Files 202 202 Lines 23276 23278 +2 ======================================= + Hits 22670 22672 +2 Misses 606 606 ``` | [Flag](https://app.codecov.io/gh/duartegroup/autodE/pull/348/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/duartegroup/autodE/pull/348/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup) | `97.39% <100.00%> (+<0.01%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup#carryforward-flags-in-the-pull-request-comment) to find out more.

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