cut

# TODO: Get rid of this when there is a stable release of deepchem.

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

    cd deepchem && \

    git checkout tags/1.3.0 && \

    git checkout tags/1.3.1 && \

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

    bash scripts/install_deepchem_conda.sh root && \

    python setup.py develop

## Version

1.2.0

1.3.1

### Post-release

- Update the docker images

  - sudo docker build -f Dockerfile .

  - sudo docker image list

```bash

sudo docker build -f Dockerfile .

sudo docker image list

# smoke test everything

nvidia-docker run -i -t \<IMAGE ID\>

python scripts/detect_devices.py // verify gpu is enabled

cd examples; python benchmark.py -d tox21

  - // smoke test everything

  - nvidia-docker run -i -t \<IMAGE ID\>

  - python scripts/detect_devices.py // verify gpu is enabled

  - cd examples; python benchmark.py -d tox21

sudo docker tag \<IMAGE ID\> deepchemio/deepchem:latest

sudo docker push deepchemio/deepchem:latest

  - sudo docker tag \<IMAGE ID\> deepchemio/deepchem:latest

  - sudo docker push deepchemio/deepchem:latest

sudo docker tag \<IMAGE ID\> deepchemio/deepchem:<version>

sudo docker push deepchemio/deepchem:<version>

```

  - sudo docker tag \<IMAGE ID\> deepchemio/deepchem:<version>

  - sudo docker push deepchemio/deepchem:<version>

- Update conda installs

  - edit version in devtools/conda-recipes/deepchem/meta.yml

  - update requirements to be inline with scripts/install_deepchem_conda.sh

package:

  name: {{ environ.get('package_name', 'deepchem') }}

  version: "1.3.0"

  version: "1.3.1"

source:

    git_url: https://github.com/deepchem/deepchem.git