psi-rking / optking

optking: A molecular geometry optimization program
BSD 3-Clause "New" or "Revised" License
20 stars 14 forks source link

Update setup.py #72

Closed AlexHeide closed 2 years ago

AlexHeide commented 2 years ago

Require newer versions of dependencies. msgpack-python is the conda name. setup.py needs to use the pip name - msgpack.

codecov[bot] commented 2 years ago

Codecov Report

Base: 83.15% // Head: 83.12% // Decreases project coverage by -0.03% :warning:

Coverage data is based on head (d12dd06) compared to base (102ca36). Patch has no changes to coverable lines.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #72 +/- ## ========================================== - Coverage 83.15% 83.12% -0.04% ========================================== Files 35 35 Lines 6626 6626 ========================================== - Hits 5510 5508 -2 - Misses 1116 1118 +2 ``` | [Impacted Files](https://codecov.io/gh/psi-rking/optking/pull/72?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King) | Coverage Δ | | |---|---|---| | [optking/stepAlgorithms.py](https://codecov.io/gh/psi-rking/optking/pull/72/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9zdGVwQWxnb3JpdGhtcy5weQ==) | `88.81% <0.00%> (-0.94%)` | :arrow_down: | | [optking/opt\_helper.py](https://codecov.io/gh/psi-rking/optking/pull/72/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9vcHRfaGVscGVyLnB5) | `67.63% <0.00%> (+0.72%)` | :arrow_up: | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King)

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