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MolarVerse / PQAnalysis

PQAnalysis is a API/CLI python package for the analysis of MD simulations
https://molarverse.github.io/PQAnalysis/
MIT License
4 stars 2 forks source link

Update README.md #70

Closed Lucky-Armin closed 1 month ago

Lucky-Armin commented 1 month ago

Added some basic info on how to install the PQAnalysis tool. Maybe the needed Python version and alternative package managers can be added as well.

97gamjak commented 1 month ago

I just updated the suggested changes. Basically for the standard usage of PQAnalysis it should be sufficient to just install it directly from the PYPI repo - meaning pip install pqanalysis.

In general, only if someone is interested in making some contributions one has to clone the repo from github.

codecov[bot] commented 1 month ago

Codecov Report

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

Project coverage is 80.57%. Comparing base (820a3dc) to head (a461a19).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #70 +/- ## ======================================= Coverage 80.57% 80.57% ======================================= Files 122 122 Lines 4901 4901 ======================================= Hits 3949 3949 Misses 952 952 ``` | [Flag](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/70/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/70/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | `80.57% <ø> (ø)` | |