Add flake.nix and flake.lock

flake.lock

@@ -0,0 +1,43 @@
+{
+  "nodes": {
+    "flake-utils": {
+      "locked": {
+        "lastModified": 1659877975,
+        "narHash": "sha256-zllb8aq3YO3h8B/U0/J1WBgAL8EX5yWf5pMj3G0NAmc=",
+        "owner": "numtide",
+        "repo": "flake-utils",
+        "rev": "c0e246b9b83f637f4681389ecabcb2681b4f3af0",
+        "type": "github"
+      },
+      "original": {
+        "owner": "numtide",
+        "repo": "flake-utils",
+        "type": "github"
+      }
+    },
+    "nixpkgs": {
+      "locked": {
+        "lastModified": 1663244735,
+        "narHash": "sha256-+EukKkeAx6ithOLM1u5x4D12ZFuoi6vpPYjhNDmLz1o=",
+        "owner": "nixos",
+        "repo": "nixpkgs",
+        "rev": "178fea1414ae708a5704490f4c49ec3320be9815",
+        "type": "github"
+      },
+      "original": {
+        "owner": "nixos",
+        "ref": "nixos-22.05",
+        "repo": "nixpkgs",
+        "type": "github"
+      }
+    },
+    "root": {
+      "inputs": {
+        "flake-utils": "flake-utils",
+        "nixpkgs": "nixpkgs"
+      }
+    }
+  },
+  "root": "root",
+  "version": 7
+}

flake.nix

@@ -0,0 +1,41 @@
+{
+  description = "A tool for composable tracking of scientific data provenance";
+
+  inputs = {
+    nixpkgs.url = "github:nixos/nixpkgs/nixos-22.05";
+    flake-utils.url = "github:numtide/flake-utils";
+  };
+
+  # See https://old.reddit.com/r/Python/comments/npu66t/reproducible_python_environment_with_nix_flake/
+  outputs = { self, nixpkgs, flake-utils }: 
+    flake-utils.lib.eachSystem [ "x86_64-linux" ] (system:
+      let
+        python = "python37";
+        pkgs = (import nixpkgs {
+          inherit system;
+          config = {
+            allowUnfree = true;
+            cudaSupport = true;
+          };
+          overlays = [
+          ];
+        });
+        pythonPackages = pkgs.${python}.pkgs;
+        nancy = pythonPackages.buildPythonPackage {
+          name = "nancy";
+          src = ./.;
+          propagatedBuildInputs = with pythonPackages; [
+            dill
+          ];
+        };
+        # core pkgs are those required to run headless scripts
+        corePythonPkgs = ps: with ps; [
+          numpy
+          pandas
+        ];
+        corePythonEnv = pkgs.${python}.withPackages corePythonPkgs;
+      in rec {
+        defaultPackage = nancy;
+        devShell = pkgs.mkShell { buildInputs = with pkgs; [ corePythonEnv ]; };
+      });
+}