master-thesis/python/shell.nix

{ pkgs ? import <nixpkgs> {} }:
let
  mach-nix = import (builtins.fetchGit {
    url = "https://github.com/DavHau/mach-nix";
    ref = "master";
  }) {
    python = "python39Full";
  };
  fcSpline = (mach-nix.buildPythonPackage
    {src=/home/hiro/src/fcSpline;
     pname="fcSpline";
     version="0.1";
     requirements=''
           numpy
           cython
           setuptools
           scipy
       '';
    });
  pyEnv = mach-nix.mkPython rec {
    packagesExtra = [
      fcSpline
      (mach-nix.buildPythonPackage
        {src=./energy_flow_proper/hops/submodules/stocproc;
         pname="stocproc";
         packagesExtra = [fcSpline];
         # buildInputs.add = [fcSpline];
         version = "1.0.1";
         requirements = ''
           numpy
           cython
           setuptools
           mpmath
           scipy
       '';
        })

      (mach-nix.buildPythonPackage
        {
          src=./energy_flow_proper/hops/submodules/binfootprint;
          pname="binfootpriont";
        })

      (mach-nix.buildPythonPackage
        {
          src=./energy_flow_proper/hops/submodules/jobmanager;
          pname="jobmanager";
        })

      (mach-nix.buildPythonPackage
        {
          src=./energy_flow_proper/hops/submodules/progression;
          pname="progression";
        })
    ];
    _.stocproc.buildInputs.add = [fcSpline];
    #_.stocproc.patches = [./stocproc.patch];
    requirements = ''
    numpy >= 1.20
    data-science-types
    mypy
    # jupyter-spaces
    ptpython
    jedi
    black
    flake8
    matplotlib
    scipy >= 1.6
    jupyter
    h5py
    sqlitedict
    pycairo
    pygobject
    lmfit
    qutip
  '';
    ignoreCollisions = true;
    providers.tk = "nixpkgs";
    _.jupyter.postInstall = ''
    rm $out/lib/python*/site-packages/__pycache__/jupyter.cpython-39.pyc
    rm $out/lib/python*/site-packages/jupyter.py
  '';
  };
in
pkgs.mkShell {
  buildInputs = [pyEnv pkgs.cairo pkgs.openblas];
  BLAS = "${pkgs.lib.strings.makeLibraryPath [pkgs.openblas]}";
  shellHook = ''
        export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$BLAS
  '';
}