Commit 1d8a623c authored by leswing's avatar leswing
Browse files

dockerfile

parent 3ba1bfc1

Dockerfile

+1 −1
Original line number Diff line number Diff line
@@ -16,7 +16,7 @@ RUN conda update -n base conda 
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

devtools/conda-recipe/deepchem/run_test.py

+11 −0
Original line number Diff line number Diff line
@@ -5,6 +5,17 @@ class TestDeepchemBuild(unittest.TestCase): 
  def setUp(self):

    pass



  def tearDown(self):

    import deepchem

    import os

    data_dir = deepchem.utils.get_data_dir()

    bace_dir = os.path.join(data_dir, "bace_c")

    if os.path.exists(bace_dir):

      os.rmdir(bace_dir)

    delaney_dir = os.path.join(data_dir, "delaney")

    if os.path.exists(delaney_dir):

      os.rmdir(bace_dir)



  def test_dc_import(self):

    import deepchem

    print(deepchem.__version__)

devtools/jenkins/conda_build.sh

+0 −11
Original line number Diff line number Diff line
@@ -5,18 +5,7 @@ conda upgrade conda -y 
conda install conda-build anaconda-client conda-verify -y

conda upgrade conda-build anaconda-client conda-verify -y

conda build purge

export python_version=2.7

conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge >> log.txt

export python_version=3.5

conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge >> log.tzt

export python_version=3.6

conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge >> log.txt



export package_name=deepchem-gpu

export tensorflow_enabled=tensorflow-gpu

export python_version=2.7

conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge >> log.txt

export python_version=3.5

conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge >> log.txt

export python_version=3.6

conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge >> log.txt

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