WS-KCNHUB/machines/kcnhub/servers/jupyterhub.nix

{ config, pkgs, lib, ... }: {
  services.jupyterhub = {
    enable = true;
    port = 6501;
    # https://github.com/jupyterhub/systemdspawner
    # Configuration options defined ^
    extraConfig = ''
      c.SystemdSpawner.mem_limit = '2G'
      c.SystemdSpawner.cpu_limit = 1.0
      c.SystemdSpawner.isolate_devices = False
      c.SystemdSpawner.extra_paths = [
        '${pkgs.buildEnv {
          name = "jupyterhub-system-spawner-env";
          paths = with pkgs; [
            gcc
          ];
        }}/bin']
    '';
    # Extra Paths used to add gcc et al for packages like Brian2
    # https://github.com/jupyterhub/systemdspawner#extra_paths

    jupyterlabEnv = pkgs.python3.withPackages (p: with p; [
      jupyterhub
      jupyterlab
      # Extensions:
      jupyter-collaboration
      jupyter-server-mathjax
      jupyter-console
      jupyterlab-lsp
      python-lsp-server
    ]);
    
    kernels = {
      python3 = let
        env = (pkgs.python3.withPackages (pythonPackages: with pythonPackages; [
          # Necessary for use as a kernel
          ipykernel
          ipdb
          # Interactive widgets
          ipywidgets
          # Show images/media
          mediapy
          # Progress bars etc. for in Jupyter/IPython
          halo

          # Common Python Libraries
          numpy
          scipy
          scikit-learn
          pandas
          # Tables displayed in Jupyter: like Pandas Dataframes
          ipytablewidgets
          matplotlib
          ipympl
          matplotlib-inline
          seaborn

          # Neural Data Processing Libraries
          # Temporarily broken?: https://github.com/NixOS/nixpkgs/issues/259812
          # mne-python
          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

          # Machine learning toolkits:
          tensorflow
          tensorboard
          keras
          edward
          transformers
          tflearn
          torch
          torchvision
          torchsde
          torchmetrics
          torchio
          torchdiffeq
          botorch
          lion-pytorch
        ])).override (args: { ignoreCollisions = true; });
        # Odd collision between tensorboard of torch & tensorflow
        # need to resolve later
      in {
        displayName = "Python 3 for Computational Neuroscience";
        argv = [
          "${env.interpreter}"
          "-m"
          "ipykernel_launcher"
          "-f"
          "{connection_file}"
        ];
        language = "python";
        logo32 = "${env}/${env.sitePackages}/ipykernel/resources/logo-32x32.png";
        logo64 = "${env}/${env.sitePackages}/ipykernel/resources/logo-64x64.png";
      };
    };
  };
  
  services.caddy.virtualHosts = {
    "jupyter.ws.kcnhub.com" = {
      extraConfig = ''
        reverse_proxy 127.0.0.1:${toString config.services.jupyterhub.port}
      '';           
    };
  };
}