A singularity recipe for NumPy w/ AOCL

numpy-aocl.conf

# 1. Download `aocl-linux-gcc-2.2.0_1_amd64.deb` into the same directory as this config file.
# 2. Build the container with `sudo singularity build numpy-aocl.img numpy-aocl.conf`.
# 3. Run ipython with `OMP_NUM_THREADS=64 singularity exec numpy-aocl.img ipython`.

Bootstrap: docker

From: continuumio/anaconda3

%files
    aocl-linux-gcc-2.2.0_1_amd64.deb /tmp

%environment
    PATH=/opt/conda/bin:$PATH    
    export PATH

%post
    PATH=/opt/conda/bin:$PATH
    export PATH

    apt update --fix-missing
    apt install -y build-essential

    # install AOCL
    apt install -y /tmp/aocl-linux-gcc-2.2.0_1_amd64.deb

    # install NumPy
    cd /opt
    git clone https://github.com/numpy/numpy.git
    cd ./numpy

    cat <<EOL >> site.cfg
[blis]                                                                              
libraries = blis-mt                                        
library_dirs = /opt/AMD/aocl/aocl-linux-gcc-2.2.0/lib
include_dirs = /opt/AMD/aocl/aocl-linux-gcc-2.2.0/include
runtime_library_dirs = /opt/AMD/aocl/aocl-linux-gcc-2.2.0/lib

[flame]                                                            
libraries = flame                                  
library_dirs = /opt/AMD/aocl/aocl-linux-gcc-2.2.0/lib
runtime_library_dirs = /opt/AMD/aocl/aocl-linux-gcc-2.2.0/lib
EOL

    NPY_BLAS_ORDER=blis NPY_LAPACK_ORDER=flame pip install .

    # clean up
    apt clean

%runscript
    ipython