WS-KCNHUB/machines/kcnhub/packages/python.nix

{config, lib, pkgs, ...}: {
  options = {
    pythonPackages = lib.mkOption {
      type = lib.types.anything;
      default = p: with p; [];
      example = p: with p; [ numpy scipy ];
      description = "List of Python Packages installed";
    };
  };
  config = {
    environment.systemPackages = with pkgs; [
      ((pkgs.python3.withPackages config.pythonPackages).override (args: { ignoreCollisions = true; }))
    ];
    pythonPackages = (p: with p; [
      # Common Python Libraries
      numpy
      scipy
      scikit-learn
      pandas
      openpyxl
      matplotlib
      ipympl
      matplotlib-inline
      seaborn

      # Neural Data Processing Libraries
      # Temporarily broken?: https://github.com/NixOS/nixpkgs/issues/259812
      mne-python
      edfio
      nibabel
      # View niftis!
      ipyniivue
      neo
      
      # Neurosimulators
      neuronpy
      # nest with MPI is incompatible with Jupyter:
      # https://www.nest-simulator.org/pynest-api/_modules/nest.html
      # see pynestkernel comments about their workaround
      (nest.override {
        withMpi = false;
      })
      brian2
      # SpiNNaker simulator
      spynnaker

      # Machine learning toolkits:
      tensorflow
      tensorboard
      keras
      edward
      transformers
      tflearn
      torch
      torchvision
      torchsde
      torchmetrics
      torchio
      torchdiffeq
      botorch
      lion-pytorch
      pycuda
      accelerate
      datasets
    ]);
  };
}