klimaj / DAlphaBall

A tool for computing the surface area and volume of unions of many balls.

Conda Build Recipes

DAlphaBall is distributed under the GNU LGPL. A build recipe and associated scripting components for building conda packages for Rosetta components. These recipes can be used to generate the DAlphaBall executable.

TLDR

1. Install docker.
2. Use dalphaball_docker_build.sh <output dir> to build the dalphaball conda package.

Building on/for macOS

The c std lib that can be used with conda build is a little older, so you'll need to set up an appropriate build environment. The Mac OS X 10.10 SDK is compatible and can be configured to work with conda build with the following steps:

1. Get MacOSX10.10.sdk
2. Move the SDK to /opt with tar xf ~/Downloads/MacOSX10.10.sdk.tar.xz -C /opt
3. Add the following to ~/.condarc:

conda_build:
  config_file: ~/.conda/conda_build_config.yaml

4. Create ~/.conda/conda_build_config.yaml if it doesn't exist and add:

CONDA_BUILD_SYSROOT:
  - /opt/MacOSX10.10.sdk # [osx]

5. Use conda build recipes --croot=<output dir> to build the dalphaball conda package.

Build Layout

These components are roughly organized into layers:

• recipes: Conda recipe definitions with dependency information and build steps.

• dalphaball_docker_build.sh: Script using minimal build environment defined in linux-anvil to build broadly compatible linux conda packages. This should be considered the primary entrypoint to generate conda packages.

• Use conda build recipes --croot=<output dir> to build the dalphaball conda package in your current environment.

Build Debugging

The dalphaball_docker_build.sh build scripts can be used to diagnose failed builds within the anvil environment. To debug a failed build:

• Note the build prefix in the container. Eg.

  /home/conda/build/dalphaball_12345

• Re-invoke the docker run config used to execute the build, replacing the conda build call with a direct invocation of the workspace build script.

  Eg. bash -c 'cd /home/conda/root/dalphaball && conda build recipes --croot /home/conda/build' -> bash -c 'cd /home/conda/build/dalphaball_12345 && ./conda_build.sh'