Loading docker/latest/Dockerfile +3 −6 Original line number Diff line number Diff line Loading @@ -9,16 +9,13 @@ RUN apt-get update && \ RUN MINICONDA="Miniconda3-latest-Linux-x86_64.sh" && \ wget --quiet https://repo.continuum.io/miniconda/$MINICONDA && \ bash $MINICONDA -b -p /miniconda && \ rm -f $MINICONDA && \ echo ". /miniconda/etc/profile.d/conda.sh" >> ~/.bashrc rm -f $MINICONDA ENV PATH /miniconda/bin:$PATH SHELL ["/bin/bash", "-l", "-c"] # install latest version deepchem RUN conda update -n base conda && \ conda create -y --name deepchem python=3.6 && \ . /miniconda/etc/profile.d/conda.sh && \ conda init bash && \ conda activate deepchem && \ yes | pip install --upgrade pip && \ yes | pip install --pre -U tensorflow-gpu tensorflow-probability && \ conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem-gpu=2.3.0 No newline at end of file docker/master/Dockerfile +4 −5 Original line number Diff line number Diff line Loading @@ -9,15 +9,14 @@ RUN apt-get update && \ RUN MINICONDA="Miniconda3-latest-Linux-x86_64.sh" && \ wget --quiet https://repo.continuum.io/miniconda/$MINICONDA && \ bash $MINICONDA -b -p /miniconda && \ rm -f $MINICONDA && \ echo ". /miniconda/etc/profile.d/conda.sh" >> ~/.bashrc rm -f $MINICONDA ENV PATH /miniconda/bin:$PATH SHELL ["/bin/bash", "-l", "-c"] # install deepchem with master branch RUN conda update -n base conda && \ git clone --depth=1 https://github.com/deepchem/deepchem.git && \ git clone https://github.com/deepchem/deepchem.git && \ cd deepchem && \ . /miniconda/etc/profile.d/conda.sh && \ conda init bash && \ gpu=1 bash scripts/install_deepchem_conda.sh deepchem && \ conda activate deepchem && python setup.py install No newline at end of file scripts/install_deepchem_conda.sh +1 −0 Original line number Diff line number Diff line Loading @@ -10,6 +10,7 @@ then export tensorflow=tensorflow-gpu echo "Using Tensorflow (GPU MODE)." else export tensorflow=tensorflow echo "Using Tensorflow (CPU MODE) by default." fi Loading Loading
docker/latest/Dockerfile +3 −6 Original line number Diff line number Diff line Loading @@ -9,16 +9,13 @@ RUN apt-get update && \ RUN MINICONDA="Miniconda3-latest-Linux-x86_64.sh" && \ wget --quiet https://repo.continuum.io/miniconda/$MINICONDA && \ bash $MINICONDA -b -p /miniconda && \ rm -f $MINICONDA && \ echo ". /miniconda/etc/profile.d/conda.sh" >> ~/.bashrc rm -f $MINICONDA ENV PATH /miniconda/bin:$PATH SHELL ["/bin/bash", "-l", "-c"] # install latest version deepchem RUN conda update -n base conda && \ conda create -y --name deepchem python=3.6 && \ . /miniconda/etc/profile.d/conda.sh && \ conda init bash && \ conda activate deepchem && \ yes | pip install --upgrade pip && \ yes | pip install --pre -U tensorflow-gpu tensorflow-probability && \ conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem-gpu=2.3.0 No newline at end of file
docker/master/Dockerfile +4 −5 Original line number Diff line number Diff line Loading @@ -9,15 +9,14 @@ RUN apt-get update && \ RUN MINICONDA="Miniconda3-latest-Linux-x86_64.sh" && \ wget --quiet https://repo.continuum.io/miniconda/$MINICONDA && \ bash $MINICONDA -b -p /miniconda && \ rm -f $MINICONDA && \ echo ". /miniconda/etc/profile.d/conda.sh" >> ~/.bashrc rm -f $MINICONDA ENV PATH /miniconda/bin:$PATH SHELL ["/bin/bash", "-l", "-c"] # install deepchem with master branch RUN conda update -n base conda && \ git clone --depth=1 https://github.com/deepchem/deepchem.git && \ git clone https://github.com/deepchem/deepchem.git && \ cd deepchem && \ . /miniconda/etc/profile.d/conda.sh && \ conda init bash && \ gpu=1 bash scripts/install_deepchem_conda.sh deepchem && \ conda activate deepchem && python setup.py install No newline at end of file
scripts/install_deepchem_conda.sh +1 −0 Original line number Diff line number Diff line Loading @@ -10,6 +10,7 @@ then export tensorflow=tensorflow-gpu echo "Using Tensorflow (GPU MODE)." else export tensorflow=tensorflow echo "Using Tensorflow (CPU MODE) by default." fi Loading
