Adds installer hash check and interactive notices.

# Point me to where you want anaconda installed.

# I recommend "/ccs/proj/<PROJID>/opt/anaconda/titan-gnu" which labels the host

# and programming environment, is readable on the compute nodes, and is not

# purged.

ANACONDA_PATH="${ANACONDA_PATH-/ccs/proj/csc103/opt/anaconda/titan-gnu}"

ANACONDA_PATH="${ANACONDA_PATH-}"

VENV_NAME="myenv"

if [ -z "${ANACONDA_PATH}" ]; then

  echo "=> Select where you would like to install Anaconda:"

  read ANACONDA_PATH

fi

# Set the environment modules

# ===========================

# Deploy Anaconda

# ===============

# Install anaconda as needed

if [ ! -d "${ANACONDA_PATH}" ]; then 

  # Use a particular anaconda installer version.

  ANACONDA_INSTALLER="Anaconda2-4.2.0-Linux-x86_64.sh"

  if [ ! -f "./${ANACONDA_INSTALLER}" ]; then 

    wget "https://repo.continuum.io/archive/${ANACONDA_INSTALLER}"

    chmod a+x "${ANACONDA_INSTALLER}"

  ANACONDA_INSTALLER_NAME="Anaconda2-4.2.0-Linux-x86_64.sh"

  ANACONDA_INSTALLER_HASH="a0d1fbe47014b71c6764d76fb403f217"

  echo "=> Installing ${ANACONDA_INSTALLER_NAME%.sh}"

  mkdir -p "/tmp/$USER"

  INSTALLER="/tmp/$USER/$ANACONDA_INSTALLER_NAME"

  # Get the installer, if needed.

  if [ ! -f "${INSTALLER}" ]; then 

    echo "-> Obtaining installer"

    wget "https://repo.continuum.io/archive/${ANACONDA_INSTALLER_NAME}" \

         -O "${INSTALLER}"

  fi 

  ./${ANACONDA_INSTALLER} -p "${ANACONDA_PATH}"

  rm "./${ANACONDA_INSTALLER}"

  # Check that the installer is OK.

  echo "-> Verifying installer"

  _dl_hash="$(md5sum ${INSTALLER} 2>&1 | grep -m 1 -oe "^[^ ]*")"

  if [ "$_dl_hash" != "$ANACONDA_INSTALLER_HASH" ]; then

    echo "!> ERROR: '${INSTALLER}' failed checksum and was removed."

    echo "Please check installer md5sum and re-run this script"

    return 1

  fi

  # Do the installation.

  echo "-> Performing non-interactive Anaconda install"

  chmod a+x "${INSTALLER}"

  ${INSTALLER} -b -p "${ANACONDA_PATH}"

# The anaconda 'activate' script makes some crummy assumptions about zsh

# version. This patch fixes it to work with all versions.

patch --unified --strip=1 --backup --directory="${ANACONDA_PATH}" <<'EOF'

--- a/bin/activate	2016-12-14 08:42:22.253429000 -0500

+++ b/bin/activate	2016-12-14 08:42:27.640355000 -0500

@@ -5,7 +5,7 @@

     _SCRIPT_LOCATION=${BASH_SOURCE[0]}

     _SHELL="bash"

 elif [[ -n $ZSH_VERSION ]]; then

-    _SCRIPT_LOCATION=${funcstack[1]}

+    _SCRIPT_LOCATION="${(%):-%N}"

     _SHELL="zsh"

 else

     echo "Only bash and zsh are supported"

EOF

fi 

# Add Anaconda to the PATH

# =======================

# ========================

# We want to use ONLY the anaconda distro we installed to $ANACONDA_PATH.  We

# cannot block Python from finding modules in your $HOME/.local space, but be

# on all OLCF resources. Try to avoid using packages installed there unless they

# are simple, v2.6-compatible packages written purely in python.

echo "=> Adding Anaconda to the PATH"

export PATH="${ANACONDA_PATH}/bin:$PATH"

# Wipe the PYTHONPATH so it is not contaminated with packages installed for use

# installing our own interpretor but it is good practice and prevents some

# clashes with OLCF provided python packages/interpreters.

# On M.P.Belhorn's preferred shell (zsh), the anaconda 'activate' script doesn't

# work without being in the anaconda binary directory (it assumes we are using

# an up-to-date zsh). This is to recall the CWD from which we started.

_LAST_CWD="$PWD"

cd "$ANACONDA_PATH/bin"

# If this is the first time this script has been called,

# then create the venv...

if [ ! -d "${ANACONDA_PATH}/envs/${VENV_NAME}" ]; then

  echo "=> Setting up a virtualenv"

  # Configure compiler wrapper to target the batch nodes so compiled code will

  # run on both batch and compute nodes. Switch back to craype-interlagos when

  # building code that will only be run on the compute nodes for optimal

  # performance.

  echo "-> Configuring the build environment"

  module unload craype-interlagos

  module load craype-istanbul

  # Use the latest and greatest!

  echo "-> Updating Conda packages"

  conda update conda

  # This may need some work. "accelerate" uses CUDA, but conda is notoriously

  conda install accelerate

  # Create the venv

  echo "-> Creating Anaconda virtualenv, '${VENV_NAME}'"

  conda create -n "${VENV_NAME}" python=2.7 numpy accelerate

  # Activate it

  echo "-> Activating VENV."

  source activate "${VENV_NAME}"

  # Manually install core packages without relying on pre-compiled binaries from

  # conda that would use, for instance, openmpi instead of Cray MPICH.

  echo "-> Building customized python packages"

  pip install --upgrade pip

  echo "-> Building mpi4py"

  CC=cc pip install -v --no-binary :all: mpi4py

  # H5py needs some configure options to use MPI. Worst case scenario, some

  # packages will need to be built without pip.

  echo "-> Building h5py"

  HDF5_DIR="${CRAY_HDF5_DIR}/${PE_ENV}/${GNU_VERSION%.*}"

  CC=cc HDF5_MPI="ON" HDF5_DIR="${HDF5_DIR}" pip install -v --no-binary :all: h5py

  # Reconfigure the compiler wrapper for the compute nodes. Remember, all

  # environment module changes must happen *without* an active python venv.

  echo "-> Restoring the build environment"

  source deactivate "${VENV_NAME}"

  module unload craype-istanbul

  module load craype-interlagos

fi

# Activate the venv.

echo "=> Activating Anaconda virtualenv"

source activate "${VENV_NAME}"

# End where we began.

cd "${_LAST_CWD}"