Updates

bash scripts/install_deepchem_conda.sh $envname

source activate $envname

python setup.py install

conda install -y jupyter

conda install -y nbconvert

conda install -y jupyter_client

conda install -y ipykernel

conda install -y matplotlib

yes | pip install nglview

conda install -y ipywidgets

# Run adme test

cd examples/

import os

import subprocess

import tempfile

def _example_run(path):

  """Checks that the example at the specified path runs corrently.

  Parameters

  ----------

  path: str

    Path to example file.

  Returns

  -------

  result: int 

    Return code. 0 for success, failure otherwise.

  """

  cmd = ["python", path]

  return subprocess.check_output(cmd)

def test_adme():

  result, output = _example_run("./adme/run_benchmarks.py")

  print(output)

  assert result == 0

if __name__ == "__main__":

  test_adme()