molecular-design-toolkit
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Dev environment guide
Need easy-to-follow instructions for preparing a dev environment.
This would probably include:
- pull MDT (and possibly nbmolviz and pyccc as well)
- pip install -e any relevant packages
- install docker, pull the images.
- install python dependencies locally?
- know how to build new docker images
Still a big problem that docker images with MDT code in them will lag behind your dev version. Some sort of solution that lets us mount the code into the containers would be ideal. Possibly need to have a custom "dev" mode in CCC that would let you do this.
We need a better way to do interface development - a JSON interface + sending the code functions every time would probably fix this.
In progress at /DEVELOPMENT.md
TODO:
- more Conda, less PyEnv
- dev version synchronization with nbmolviz
- Encourage py3 as the target, then backport as necessary to py2