{ description = "Calculating open system bath energy changes with HOPS and analytically."; inputs = { nixpkgs.url = "nixpkgs/nixos-unstable"; mach-nix.url = "github:DavHau/mach-nix"; flake-utils.url = "github:numtide/flake-utils"; fcSpline.url = "github:vale981/fcSpline"; }; outputs = { self, nixpkgs, flake-utils, mach-nix, fcSpline }: let python = "python39"; pypiDataRev = "master"; pypiDataSha256 = "041rpjrwwa43hap167jy8blnxvpvbfil0ail4y4mar1q5f0q57xx"; devShell = pkgs: pkgs.mkShell { buildInputs = [ (pkgs.${python}.withPackages (ps: with ps; [ black mypy ])) pkgs.nodePackages.pyright ]; }; in flake-utils.lib.eachSystem ["x86_64-linux"] (system: let pkgs = nixpkgs.legacyPackages.${system}; mach-nix-wrapper = import mach-nix { inherit pkgs python pypiDataRev pypiDataSha256; }; stocproc = (mach-nix-wrapper.buildPythonPackage {src = builtins.fetchTarball { url = "https://github.com/vale981/stocproc/archive/93589c45f7a4e1f43059139708d696ff5b066dd2.tar.gz"; sha256 = "005q29g9yxng6d0w3dx19xn5mwbmf3nxmh3233d5d5wvar5xjzvr"; }; requirements = '' numpy scipy mpmath cython ''; pname="stocproc"; version = "1.0.1"; }); requirements = builtins.readFile ./requirements.txt; fcSplinePkg = fcSpline.defaultPackage.${system}; hopsflow = mach-nix-wrapper.buildPythonPackage { src=./.; propagatedBuildInputs = [fcSplinePkg]; # packagesExtra = [hopsflow fcSplinePkg stocproc]; # _.stocproc.buildInputs.add = [fcSplinePkg]; }; pythonShell = mach-nix-wrapper.mkPythonShell { requirements = requirements; packagesExtra = [hopsflow fcSplinePkg stocproc]; _.stocproc.buildInputs.add = [fcSplinePkg]; }; mergeEnvs = envs: pkgs.mkShell (builtins.foldl' (a: v: { buildInputs = a.buildInputs ++ v.buildInputs; nativeBuildInputs = a.nativeBuildInputs ++ v.nativeBuildInputs; }) (pkgs.mkShell { }) envs); in { devShell = mergeEnvs [ (devShell pkgs) pythonShell ]; defaultPackage = hopsflow; packages.hopsflow = hopsflow; }); }