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slochower / openforcefield-binding

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Setup #1

Open slochower opened 7 years ago

slochower commented 7 years ago
  1. Install requirements in environment.yaml.
  2. Add a jupyter notebook kernel inside the new environment: 
    (openforcefield) Thu Jul 13 16:41:26 warthog:~
$ python -m ipykernel install --user --name openforcefield --display-name "Python (OFF)"
Installed kernelspec openforcefield in /home/dslochower/.local/share/jupyter/kernels/openforcefield
(openforcefield) Thu Jul 13 16:41:59 warthog:~
$
slochower commented 7 years ago

Create pip.conf and add:

[global]
extra-index-url = https://pypi.anaconda.org/OpenEye/simple

so that conda env update -f build/environment.yaml works with oenotebook.