Building packages

If you are not a Glotzer Lab member or you would like to build these packages on a new resource:

Note

Replace {{ package-manager }} with the name of your preferred conda-compatible package manager executable.

1. Install conda-build and boa into your environment:

   {{ package-manager }} install conda-build boa
   

2. Obtain the glotzerlab-software source code:

   git clone https://github.com/glotzerlab/software
   

3. Change to the conda directory:

   cd software/conda
   

4. Load any modules needed to provide compilers, MPI, and CUDA (optional). For example:

   module load gcc openmpi cuda
   

5. Build the packages:

   ./build.sh hoomd mpi4py \
       --skip-existing \
       --variants "{'cluster': ['{{ cluster-name }}'], 'device': ['gpu'], 'gpu_platform': ['CUDA']}" \
       --output-folder {{ channel-path }}
   

Important

The output-folder is the directory where conda build will write the packages. Set the channel path file:/{{ channel-path }} in .condarc to match (see Installing packages).