add phono3py

flake.lock

@@ -1149,6 +1149,22 @@
         "type": "github"
       }
     },
+    "phono3py": {
+      "flake": false,
+      "locked": {
+        "lastModified": 1742256515,
+        "narHash": "sha256-FQQvfeoCvUxJcQ5GD1TsHbORpjVgrJb0BvGxOGuLyhE=",
+        "owner": "phonopy",
+        "repo": "phono3py",
+        "rev": "3b770849311067e00d3336b4932046eebf13f9b3",
+        "type": "github"
+      },
+      "original": {
+        "owner": "phonopy",
+        "repo": "phono3py",
+        "type": "github"
+      }
+    },
     "plasma-manager": {
       "inputs": {
         "home-manager": [
@@ -1290,6 +1306,7 @@
         "nur-xddxdd": "nur-xddxdd",
         "octodns-cloudflare": "octodns-cloudflare",
         "openxlsx": "openxlsx",
+        "phono3py": "phono3py",
         "plasma-manager": "plasma-manager",
         "pocketfft": "pocketfft",
         "py4vasp": "py4vasp",

flake.nix

@@ -73,6 +73,7 @@
     fancy-motd = { url = "github:CHN-beta/fancy-motd"; flake = false; };
     octodns-cloudflare = { url = "github:octodns/octodns-cloudflare"; flake = false; };
     mac-style = { url = "github:SergioRibera/s4rchiso-plymouth-theme"; flake = false; };
+    phono3py = { url = "github:phonopy/phono3py"; flake = false; };
   };
 
   outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in

packages/default.nix

@@ -127,6 +127,7 @@ inputs: rec
     { src = inputs.topInputs.octodns-cloudflare; };
   info = inputs.pkgs.callPackage ./info { inherit biu; stdenv = inputs.pkgs.clang18Stdenv; };
   blog = inputs.pkgs.callPackage inputs.topInputs.blog { inherit (inputs.topInputs) hextra; };
+  phono3py = inputs.pkgs.python3Packages.callPackage ./phono3py.nix { src = inputs.topInputs.phono3py; };
 
   fromYaml = content: builtins.fromJSON (builtins.readFile
     (inputs.pkgs.runCommand "toJSON" {}

packages/phono3py.nix

@@ -0,0 +1,11 @@
+{ src, buildPythonPackage, setuptools, ninja, cmake, setuptools-scm, scikit-build-core, nanobind, numpy }:
+buildPythonPackage
+{
+  name = "phono3py";
+  pyproject = true;
+  inherit src;
+  build-system = [ setuptools ninja cmake setuptools-scm scikit-build-core nanobind ];
+  dependencies = [ numpy ];
+  dontUseCmakeConfigure = true;
+  env.SETUPTOOLS_SCM_PRETEND_VERSION = "0";
+}