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Add a Nix development enviornment to MD-SAPT #48

Merged
merged 13 commits into from
Jun 13, 2024
Merged

Add a Nix development enviornment to MD-SAPT #48

merged 13 commits into from
Jun 13, 2024

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ALescoulie
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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.

nix develop

@ALescoulie ALescoulie merged commit 2d684e1 into master Jun 13, 2024
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