Add a Nix development enviornment to MD-SAPT #48
Merged
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Adding NixOS Support
I used Nix flakes to create a reproducible development evniornment for MD-SAPT. This is mostly because the other maintainer @ifd3f and I are both NixOS users, and prior to this had do work on MD-SAPT in containers because Conda is incompatible with NixOS. This PR provides one command solution to creating development environments.
Using
After cloning the repo and entering the directory just enter the following command, and after a lengthy first time compilation process, you'll have a Python environment with all the necessary dependencies.