Singularity

Bootstrap: docker
From: nvidia/cuda:9.0-cudnn7-devel-centos7

%help
Centos7 with cuda9.0 cudnn7
ML/DL packages  : tensorflow keras sc-learn
Sci.  packages  : numpy pandas sc-image matplotlib opencv-python
Basic python    : ipython jupyter yaml pygments six zmq wheel h5py tqdm 
Development kit : g++/gcc cython nvcc libqt4-dev python-dev
Utility kit     : git wget emacs vim openssh-client

To start your container simply try
singularity exec THIS_CONTAINER.simg bash

To use GPUs, try
singularity exec --nv THIS_CONTAINER.simg bash

%labels
Maintainer coreyjadams
Modified by keceli
Version centos7-tf1.11.0-torch0.4.1

#------------
# Global installation
#------------
%environment
    
    # for system
    export CUDA_DEVICE_ORDER=PCI_BUS_ID

    # Add cupti to the path for profiling:
#    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda/extras/CUPTI/lib64

 #   source scl_source enable devtoolset-4

%post
    
    # yum basics
    yum update -y
    yum groupinstall -y "Development Tools"
    yum install -y epel-release
    yum install -y wget emacs vim 
    yum install -y PyQt4 PyQt4-devel
    yum install -y emacs vim openssh-clients zip 
    yum install -y python-devel python-pip  python-setuptools
    yum install -y hdf5


    # pip basics
    pip --no-cache-dir --disable-pip-version-check install --upgrade setuptools 
    pip --no-cache-dir --disable-pip-version-check install 'matplotlib<3.0' # for python2.7
    pip --no-cache-dir --disable-pip-version-check install 'ipython<6.0'    # for python2.7
    pip --no-cache-dir --disable-pip-version-check install 'ipykernel<5.0'  # for python2.7
    pip --no-cache-dir --disable-pip-version-check install numpy wheel zmq six pygments pyyaml cython gputil psutil humanize h5py tqdm scipy seaborn tables
    pip --no-cache-dir --disable-pip-version-check install  pandas scikit-image scikit-learn Pillow opencv-python cloud-volume
    pip --no-cache-dir --disable-pip-version-check install jupyter notebook


    # tensorflow
    pip --no-cache-dir --disable-pip-version-check install --upgrade tensorflow-gpu==1.12.0
    pip --no-cache-dir --disable-pip-version-check install tensorboard

    # keras
    pip --no-cache-dir --disable-pip-version-check install keras

  # ffn
    git clone https://github.com/google/ffn.git
    pip --no-cache-dir --disable-pip-version-check install h5py
    pip --no-cache-dir --disable-pip-version-check install absl-py>=0.1.4