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grimme-lab / enso

energetic sorting of conformer rotamer ensembles
https://xtb-docs.readthedocs.io/en/latest/enso_doc/enso.html
GNU Lesser General Public License v3.0
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Make installation with pip possible #12

Open awvwgk opened 4 years ago

awvwgk commented 4 years ago

This adds a simple setup.py to allow usual installs with

pip install git+https://github.com/grimme-lab/enso.git

After install the command enso will be available.

@fabothch The install_requires field should be checked for missing or superfluous dependencies.