packages.phono3py: fix

flake.lock

@@ -1159,15 +1159,16 @@
     "phono3py": {
       "flake": false,
       "locked": {
-        "lastModified": 1742256515,
-        "narHash": "sha256-FQQvfeoCvUxJcQ5GD1TsHbORpjVgrJb0BvGxOGuLyhE=",
+        "lastModified": 1740821378,
+        "narHash": "sha256-B9Q0AqINtyoiT+V00VHpBPDzXCqie6lGYeBiLl6UgRM=",
         "owner": "phonopy",
         "repo": "phono3py",
-        "rev": "3b770849311067e00d3336b4932046eebf13f9b3",
+        "rev": "7a2b54faa7993b6f24080783b85bd6d6dadb2ccc",
         "type": "github"
       },
       "original": {
         "owner": "phonopy",
+        "ref": "v3.14.1",
         "repo": "phono3py",
         "type": "github"
       }

flake.nix

@@ -74,7 +74,7 @@
     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?lfs=1"; flake = false; };
-    phono3py = { url = "github:phonopy/phono3py"; flake = false; };
+    phono3py = { url = "github:phonopy/phono3py/v3.14.1"; flake = false; };
   };
 
   outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in

modules/packages/desktop.nix

@@ -79,6 +79,7 @@ inputs:
           # TODO: remove on next release
           # phonopy have some bug, we use the version from nixpkgs-unstable
           (inputs.lib.hiPrio pkgs-unstable.python3Packages.phonopy)
+          (inputs.lib.hiPrio pkgs-unstable.localPackages.phono3py)
         ]
           ++ (builtins.filter (p: !((p.meta.broken or false) || (builtins.elem p.pname or null [ "falkon" "kalzium" ])))
             (builtins.filter inputs.lib.isDerivation (builtins.attrValues kdePackages.kdeGear)));

modules/system/nixpkgs/buildNixpkgsConfig.nix

@@ -104,7 +104,8 @@ in platformConfig //
                         (prev: { configureFlags = prev.configureFlags or [] ++ [ "--ghc-option=-optc-mno-avx2" ]; });
                     };
                   };
-                };
+                }
+                  // (inputs.topInputs.self.overlays.default final prev);
             };
           };
           packages = name: import inputs.topInputs.${source.${name}.source or source.${name}}

packages/phono3py.nix

@@ -1,11 +1,15 @@
-{ src, buildPythonPackage, setuptools, ninja, cmake, setuptools-scm, scikit-build-core, nanobind, numpy }:
+{
+  src, buildPythonPackage,
+  setuptools, ninja, cmake, setuptools-scm, scikit-build-core, nanobind,
+  numpy, scipy, pyyaml, matplotlib, h5py, spglib, phonopy
+}:
 buildPythonPackage
 {
   name = "phono3py";
   pyproject = true;
   inherit src;
   build-system = [ setuptools ninja cmake setuptools-scm scikit-build-core nanobind ];
-  dependencies = [ numpy ];
+  dependencies = [ numpy scipy pyyaml matplotlib h5py spglib phonopy ];
   dontUseCmakeConfigure = true;
   env.SETUPTOOLS_SCM_PRETEND_VERSION = "0";
 }