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Issues in starting up #2

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ipcamit opened this issue Nov 7, 2021 · 2 comments
Open

Issues in starting up #2

ipcamit opened this issue Nov 7, 2021 · 2 comments

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@ipcamit
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ipcamit commented Nov 7, 2021

I think there are couple of issues in starting colabfit-tools hat i faced.

  1. When I give from colbfit.tools import Dataset i get the following error:

ImportError: cannot import name 'Dataset' from 'colabfit.tools' (colabfit-tools/colabfit/tools/init.py)

Possible reason: Everything is commented out in init.py file. When I uncomment the 4th line, it can start the import.

  1. Missing dependencies: it needs bson package but does not list it in requirements. May be add it too? I dont think it is standard package

I am using Python 3.7.7 on MacOS

@jvita
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jvita commented Nov 7, 2021

When I give from colbfit.tools import Dataset i get the following error:

Thanks for pointing this out; I had changed the installation to use things like from colabfit.tools.dataset import Dataset instead of from colabfit.tools import Dataset in order to make it clearer which sub-package different classes/functions come from, but I forgot to update the README.

Missing dependencies: it needs bson package but does not list it in requirements. May be add it too? I dont think it is standard package

I will add this to the requirements list as well

@dskarls
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dskarls commented Nov 11, 2021

I think another missing requirement here might be the 'markdown' package imported in dataset.py:L4. Currently, the setup.py requirements lead to the following packages being installed directly and indirectly:

  • numpy
  • scipy
  • cycler
  • kiwisolver
  • pillow
  • pyparsing
  • six
  • python-dateutil
  • matplotlib
  • ase
  • kim-edn
  • kim-property
  • tqdm
  • bson
  • colabfit-tools

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