Merge pull request #1330 from lilleswing/dc-2.1-cut

python:

- '2.7'

- '3.5'

- '3.6'

sudo: required

dist: trusty

install:

RUN export LANG=en_US.UTF-8 && \

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

    cd deepchem && \

    git checkout 2.0.0 && \

    git checkout 2.1.0 && \

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

    bash scripts/install_deepchem_conda.sh && \

    python setup.py develop

### Easy Install via Conda

```bash

conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem=2.0.0

conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem=2.1.0

```

**Note:** `Easy Install` installs the latest stable version of `deepchem` and _does not install from source_. If you need to install from source make sure you follow the steps [here](#using-a-conda-environment).

## Version

2.0.0

2.1.0

python:

- 2.7

- 3.5

- 3.6

package:

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

  version: "2.0.0"

  version: "2.1.0"

source:

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

    git_tag: 2.0.0

    git_tag: 2.1.0

build:

  number: 0

requirements:

  build:

    - python {{ environ.get('python_version', '3.5') }}

    - python {{ python }}

    - setuptools

    - pbr

    - numpy

  run:

    - python {{ environ.get('python_version', '3.5') }}

    - python {{ python }}

    - pdbfixer ==1.4

    - mdtraj ==1.9.1

    - joblib ==0.11

    - scikit-learn ==0.19.1

    - networkx ==1.11

    - networkx ==2.1

    - xgboost ==0.6a2

    - pillow ==4.3.0

    - pillow ==5.0.0

    - pandas ==0.22.0

    - {{ environ.get('tensorflow_enabled','tensorflow') }} ==1.5.0

    - nose ==1.3.7

    - nose-timer ==0.7.0

    - flaky ==3.3.0

    - {{ environ.get('tensorflow_enabled','tensorflow') }} ==1.6.0

    - zlib ==1.2.11

    - requests ==2.18.4

    - simdna ==0.4.2