Summary

This repository contains the build script for the Open Force Field tookit single-file installers.

Special thanks to @loriab and the Psi4 community, as this is basically a copy of their build system

Status

• This recipe is active and functional as of 2019-08-01 This recipe is inactive as of 2021-08-31 (and has been inactive for a while). Instead this github action in the openff-toolkit repo is used to make the installers.
• We do not yet have permission from OpenEye to include the openeye-toolkits conda package in the installer.

Usage

• run in an environment that has cookiecutter installed. constructor must also be accessible.

• edit cookiecutter/cookiecutter.json for control. edit cookiecutter/{{.../construct.yaml for templating

• dir build/ is regenerated each time.

• may want to clear out ~/.conda/constructor

• python run.py

• watch out for py_ in buildstring as this means a noarch, which can be troublesome