From 80dabd9cc10e6a4242a763764f49b4469f846308 Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Tue, 9 Apr 2024 15:01:07 +0200
Subject: [PATCH] fix Nix code and flakes

---
 default.nix | 31 +------------------------------
 flake.lock  | 27 +++++++++++++++++++++++++++
 flake.nix   | 18 ++++++++++++++++++
 package.nix | 36 ++++++++++++++++++++++++++++++++++++
 4 files changed, 82 insertions(+), 30 deletions(-)
 create mode 100644 flake.lock
 create mode 100644 flake.nix
 create mode 100644 package.nix

diff --git a/default.nix b/default.nix
index d786514..dda6674 100644
--- a/default.nix
+++ b/default.nix
@@ -3,33 +3,4 @@ let
   version = "dev";
   pkgs = import <nixpkgs> {};
 
-in with pkgs; stdenv.mkDerivation {
-  pname = "qdng";
-  inherit version;
-
-  src = builtins.filterSource (path: type: path != ".git" && path != "result" && path != "build") ./.;
-
-  configureFlags = [
-    "--enable-openmp"
-    "--with-blas=-lblas"
-    "--with-lapack=-llapack"
-    "--disable-gccopt"
-  ];
-
-  enableParallelBuilding = true;
-
-  preConfigure = ''
-    ./genbs
-  '';
-
-  buildInputs = [ fftw protobuf blas lapack
-                  bzip2 zlib libxml2 flex bison ];
-  nativeBuildInputs = [ automake autoconf libtool gfortran ];
-
-  meta = with lib; {
-    description = "Quantum dynamics program package";
-    platforms = platforms.linux;
-    maintainer = [ maintainers.markuskowa ];
-    license = licenses.unfree;
-  };
-}
+in pkgs.callPackage ./package.nix { protobuf = pkgs.protobuf3_21; }
diff --git a/flake.lock b/flake.lock
new file mode 100644
index 0000000..4a071a3
--- /dev/null
+++ b/flake.lock
@@ -0,0 +1,27 @@
+{
+  "nodes": {
+    "nixpkgs": {
+      "locked": {
+        "lastModified": 1712588820,
+        "narHash": "sha256-y31s5idk3jMJMAVE4Ud9AdI7HT3CgTAeMTJ0StqKN7Y=",
+        "owner": "nixos",
+        "repo": "nixpkgs",
+        "rev": "d272ca50d1f7424fbfcd1e6f1c9e01d92f6da167",
+        "type": "github"
+      },
+      "original": {
+        "owner": "nixos",
+        "ref": "nixos-23.11",
+        "repo": "nixpkgs",
+        "type": "github"
+      }
+    },
+    "root": {
+      "inputs": {
+        "nixpkgs": "nixpkgs"
+      }
+    }
+  },
+  "root": "root",
+  "version": 7
+}
diff --git a/flake.nix b/flake.nix
new file mode 100644
index 0000000..bd6a3a3
--- /dev/null
+++ b/flake.nix
@@ -0,0 +1,18 @@
+{
+  description = "Quantum dynamics program package";
+
+  inputs = {
+    nixpkgs.url = "github:nixos/nixpkgs?ref=nixos-23.11";
+  };
+
+  outputs = { self, nixpkgs }: {
+
+    packages.x86_64-linux = let
+      pkgs = nixpkgs.legacyPackages.x86_64-linux;
+      inherit (pkgs) lib callPackage;
+    in {
+      qdng = callPackage ./package.nix { protobuf = pkgs.protobuf3_21; };
+      default = self.packages.x86_64-linux.qdng;
+    };
+  };
+}
diff --git a/package.nix b/package.nix
new file mode 100644
index 0000000..e5aacaa
--- /dev/null
+++ b/package.nix
@@ -0,0 +1,36 @@
+{ lib, stdenv, fetchurl, requireFile, gfortran, fftw, protobuf
+, blas, lapack
+, automake, autoconf, libtool, zlib, bzip2, libxml2, flex, bison
+} :
+
+stdenv.mkDerivation rec {
+  pname = "qdng";
+  version = "1.0.0";
+
+  src = builtins.filterSource (path: type: path != ".git" && path != "result" && path != "build") ./.;
+
+  configureFlags = [
+    "--enable-openmp"
+    "--with-blas=-lblas"
+    "--with-lapack=-llapack"
+    "--disable-gccopt"
+  ];
+
+  enableParallelBuilding = true;
+
+  preConfigure = ''
+    ./genbs
+  '';
+
+  buildInputs = [ fftw protobuf blas lapack
+                  bzip2 zlib libxml2 flex bison ];
+  nativeBuildInputs = [ automake autoconf libtool gfortran ];
+
+  meta = with lib; {
+    description = "Quantum dynamics program package";
+    platforms = platforms.linux;
+    maintainer = [ maintainers.markuskowa ];
+    license = licenses.gpl3Only;
+  };
+}
+