mrchem nix shell

.envrc

nix_direnv_watch_file nix/sources.json
use nix

shell.nix

let
  sources = import ./nix/sources.nix;
  pkgs = import sources.nixpkgs {
    overlays = [
      (self: super: {
      })
    ];
  };
  mach-nix = import sources.mach-nix {
    pkgs = pkgs;
    python = "python39";
    pypiDataRev = "cffa5781d955e389dcddcdb91e33e3d93d6754e3";
    pypiDataSha256 = "w+ZEulFZbExp0U2PiRxrYXvbnMbFAq3sQPrtJ8vJmiU=";
  };
  pythonEnv = mach-nix.mkPython {
    requirements = ''
      h5py
      parselglossy
      qcelemental
      ruamel.yaml
    '';
  };
in
pkgs.mkShell {
  name = "MRDev";
  nativeBuildInputs = with pkgs; [
    cmake
    eigen
    gcc
    hdf5
    highfive
    ninja
    nlohmann_json
    openmpi
    pythonEnv
    # Development tools
    clang-analyzer
    clang-tools
    doxygen_gui
    graphviz
    lcov
    lldb
    pythonEnv
    valgrind
  ];

  hardeningDisable = [ "all" ];
  NINJA_STATUS = "[Built edge %f of %t in %e sec] ";
}