packages.wannier-tools: init

flake.lock

@@ -1312,6 +1312,7 @@
         "ufo": "ufo",
         "v-sim": "v-sim",
         "vaspberry": "vaspberry",
+        "wannier-tools": "wannier-tools",
         "winapps": "winapps",
         "zpp-bits": "zpp-bits"
       }
@@ -1675,6 +1676,22 @@
         "type": "github"
       }
     },
+    "wannier-tools": {
+      "flake": false,
+      "locked": {
+        "lastModified": 1747722126,
+        "narHash": "sha256-cat1Mjlp7euxt4zaNOsBOVVbMmb+e+4iHdDUeU7PdSw=",
+        "owner": "CHN-beta",
+        "repo": "wannier_tools",
+        "rev": "303cab6a49baf0783e77a6d78647123d43dd12e3",
+        "type": "github"
+      },
+      "original": {
+        "owner": "CHN-beta",
+        "repo": "wannier_tools",
+        "type": "github"
+      }
+    },
     "winapps": {
       "inputs": {
         "flake-compat": "flake-compat_5",

flake.nix

@@ -75,6 +75,7 @@
     fancy-motd = { url = "github:CHN-beta/fancy-motd"; flake = false; };
     mac-style = { url = "github:SergioRibera/s4rchiso-plymouth-theme?lfs=1"; flake = false; };
     phono3py = { url = "github:phonopy/phono3py"; flake = false; };
+    wannier-tools = { url = "github:CHN-beta/wannier_tools"; flake = false; };
   };
 
   outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in

packages/default.nix

@@ -131,6 +131,7 @@ inputs: rec
   {
     stdenv = inputs.pkgs.callPackage ./oneapi/stdenv.nix { src = inputs.topInputs.self.src.oneapi; };
   };
+  wannier-tools = inputs.pkgs.callPackage ./wannier-tools.nix { src = inputs.topInputs.wannier-tools; };
 
   fromYaml = content: builtins.fromJSON (builtins.readFile
     (inputs.pkgs.runCommand "toJSON" {}

packages/wannier-tools.nix

@@ -0,0 +1,9 @@
+{ stdenv, src, gfortran, lapack }: stdenv.mkDerivation
+{
+  name = "wannier-tools";
+  inherit src;
+  nativeBuildInputs = [ gfortran ];
+  buildInputs = [ lapack ];
+  buildPhase = "cd src; cp Makefile.gfortran Makefile; make";
+  installPhase = "mkdir -p $out/bin && cp wt.x $out/bin";
+}