Conda build

[ktbolt]

I've added the build_conda_packages.sh script that can be called from publish.sh to build moldesign conda packages.

[CLAassistant]

All committers have signed the CLA.

[avirshup]

@ktbolt - looks like some alignment stuff worked its way into this PR. Could you remove the changes any changes outside of the deployment directory from this PR?

[avirshup]

@ktbolt - There's some cleanup we can possibly do in the future, but I think this is good to test now.

Here's what I think is the easiest way to test this stuff inside the build environment:

1. Create a new branch from this one that will never ever be merged
2. Keep everything pointing to your personal conda channel for now
3. Remove the last two entries in the codeship-steps.yml file (this removes the tests and publishing step)
4. Add these lines to the bottom of that file:

   - name: test_conda_upload
   service: publisher
   tag: '^(0|[1-9]\d*)\.(0|[1-9]\d*)\.(0|[1-9]\d*)((a|rc|b)(0|[1-9]\d*))?$'  # run for PEP440 tags only
   command: deployment/build_conda_packages.sh

   5. Commit your changes, and tag the commit with a PYPI-compliant version number (0.0.0b3 would probably work fine), and push the new branch to this repo
   6. This should trigger the build - you can keep track of it at https://app.codeship.com/molecular-design-toolkit

The build will probably still take 10-20 minutes, but not the 45-60 that it would take if we ran the tests

[ktbolt]

@avirshup I created a test-conda-upload branch with a modified codeship-steps.yml file. The build succeeded but I didn't see any files uploaded to anaconda.org.

On the code-ship build page under 'services' I see a 'publisher' tag with a rotating blue serpent biting its tail, very auspicious sign in the Hopi religion but I'm not sure what that means in code-ship land.

[avirshup]

@ktbolt - Took me a second, but the problem is:

• The final step never ran because it only runs if the commit is tagged with a PEP440 version number
• so, it never bothered to build the publisher docker image

So go ahead and tag that commit with 0.0.0b3 or something - it will automatically redo the CI

[ktbolt]

The test-conda-upload branch CI test now works, created and upload moldesign packages to https://anaconda.org/ktbolt/moldesign.