jlmaccal/conda-recipes

conda build recipes for the Omnia project

• Travis-CI linuxand osx builds
• Appveyor-CI windows builds

omnia-md/conda-recipes

The recipes here create conda packages for scientific and numerical software components associated with the Omnia project. The packages built from these recipes are shared with the community on anaconda.org.

To install a package

# Add the Omnia channel
$ conda config --add channels omnia

conda install mdtraj

Supported versions

Python packages are built against latest two releases of python and python 2.7. Packages which have a binary dependency on Numpy are built against the latest two releases of Numpy.

Building the packages

The recipes here are automatically built using Appveyor-CI and Travis-CI. For linux, we use the Holy Build Box to ensure that the packages are fully compatible accross multiple linux distributions and versions.

To build a package yourself, run conda build <package_name>, or ./conda-build-all ./* to build multiple packages accross each of the supported Python/Numpy configurations.

Contributing a recipe

1. Fork this repo
2. Add your conda recipe for building your package packagename in a subdirectory called packagename. Feel free to use other recipes here as examples.
3. Open a pull request to merge your branch into this master repo.
4. It will automatically be tested to make sure it compiles.
5. We will discuss the recipe and give suggestions about how to fix any issues.
6. The recipe will be merged and our automated build framework will build and deploy the packages to the omnia anaconda channel under the rc label.
7. Test the binaries by using conda install -c omnia/label/rc packagename
8. When you're sure the binaries are ready for a full release, comment on the original pull request and a maintainer will move the package from the rc label to the main label.