https://github.com/openforcefield/toolkit-installer-constructor
Recipe for making single-file installers of the Open Force Field toolkit
https://github.com/openforcefield/toolkit-installer-constructor
Last synced: 5 days ago
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Recipe for making single-file installers of the Open Force Field toolkit
- Host: GitHub
- URL: https://github.com/openforcefield/toolkit-installer-constructor
- Owner: openforcefield
- Created: 2019-07-29T14:22:42.000Z (almost 7 years ago)
- Default Branch: master
- Last Pushed: 2022-05-13T19:35:46.000Z (about 4 years ago)
- Last Synced: 2023-08-21T16:21:11.049Z (almost 3 years ago)
- Language: Python
- Size: 16.6 KB
- Stars: 1
- Watchers: 6
- Forks: 1
- Open Issues: 1
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Metadata Files:
- Readme: README.md
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README
## 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](https://github.com/psi4/psi4meta/tree/master/conda-recipes/constructor-cutter-unified)_
## 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](https://github.com/openforcefield/openff-toolkit/blob/da37f07d9f6b19fe5143fbf52fb8d21c8f4517e6/.github/workflows/installer.yml) 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