Merge pull request #574 from lilleswing/gpu-docker

RUN git clone https://github.com/deepchem/deepchem.git && \

    cd deepchem && \

    git checkout tags/1.1.0 && \

    sed -i -- 's/tensorflow$/tensorflow-gpu/g' scripts/install_deepchem_conda.sh && \

    bash scripts/install_deepchem_conda.sh root && \

    pip install tensorflow-gpu==1.0.1 && \

    python setup.py develop

    Try running tests for one submodule at a time if memory proves an issue.

### Using a Docker Image

For major releases we will create docker environments with everything pre-installed

For major releases we will create docker environments with everything pre-installed.

In order to get GPU support you will have to use the 

[nvidia-docker](https://github.com/NVIDIA/nvidia-docker) plugin.

``` bash

# This will the download the latest stable deepchem docker image into your images

docker pull deepchemio/deepchem

# This will create a container out of our latest image

docker run -i -t deepchemio/deepchem

# This will create a container out of our latest image with GPU support

nvidia-docker run -i -t deepchemio/deepchem

# You are now in a docker container whose python has deepchem installed

# For example you can run our tox21 benchmark

from tensorflow.python.client import device_lib

def get_available_gpus():

  local_device_protos = device_lib.list_local_devices()

  return [x.name for x in local_device_protos if x.device_type == 'GPU']

print(get_available_gpus())