From f5615c1eb0c292836c211eeed56f4952dd6f35d0 Mon Sep 17 00:00:00 2001
From: Gaetan Lepage <gaetan@glepage.com>
Date: Sun, 16 Feb 2025 19:25:34 +0100
Subject: [PATCH 1/2] python312Packages.symfc: init at 1.0.1

---
 .../python-modules/symfc/default.nix          | 49 +++++++++++++++++++
 pkgs/top-level/python-packages.nix            |  2 +
 2 files changed, 51 insertions(+)
 create mode 100644 pkgs/development/python-modules/symfc/default.nix

diff --git a/pkgs/development/python-modules/symfc/default.nix b/pkgs/development/python-modules/symfc/default.nix
new file mode 100644
index 000000000000..ce8f4cd947bb
--- /dev/null
+++ b/pkgs/development/python-modules/symfc/default.nix
@@ -0,0 +1,49 @@
+{
+  lib,
+  buildPythonPackage,
+  fetchFromGitHub,
+  setuptools,
+  numpy,
+  scipy,
+  spglib,
+  pytestCheckHook,
+}:
+
+buildPythonPackage rec {
+  pname = "symfc";
+  version = "1.3.3";
+  pyproject = true;
+
+  src = fetchFromGitHub {
+    owner = "symfc";
+    repo = "symfc";
+    tag = "v${version}";
+    hash = "sha256-ec/HFs3txVtu46llTmcfDF8j0+mTkozdu7+RsZXaAGE=";
+  };
+
+  build-system = [
+    setuptools
+  ];
+
+  dependencies = [
+    numpy
+    scipy
+    spglib
+  ];
+
+  pythonImportsCheck = [
+    "symfc"
+  ];
+
+  nativeCheckInputs = [
+    pytestCheckHook
+  ];
+
+  meta = {
+    description = "Generate symmetrized force constants";
+    homepage = "https://github.com/symfc/symfc";
+    changelog = "https://github.com/symfc/symfc/releases/tag/v${version}";
+    license = lib.licenses.bsd3;
+    maintainers = with lib.maintainers; [ GaetanLepage ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index dddf89675f97..f95226f17c0f 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -15943,6 +15943,8 @@ self: super: with self; {
     inherit (pkgs) symengine;
   };
 
+  symfc = callPackage ../development/python-modules/symfc { };
+
   sympy = callPackage ../development/python-modules/sympy { };
 
   symspellpy = callPackage ../development/python-modules/symspellpy { };

From 992464cb61903d0c3f63fe434af5c408c1cedbd5 Mon Sep 17 00:00:00 2001
From: Gaetan Lepage <gaetan@glepage.com>
Date: Sun, 16 Feb 2025 19:08:53 +0100
Subject: [PATCH 2/2] python312Packages.phonopy: 2.34.1 -> 2.37.0

Diff: https://github.com/phonopy/phonopy/compare/v2.34.1...v2.37.0

Changelog: http://phonopy.github.io/phonopy/changelog.html
---
 .../python-modules/phonopy/default.nix        | 62 ++++++++++---------
 1 file changed, 34 insertions(+), 28 deletions(-)

diff --git a/pkgs/development/python-modules/phonopy/default.nix b/pkgs/development/python-modules/phonopy/default.nix
index 64abc48992ba..ce91f53e9d72 100644
--- a/pkgs/development/python-modules/phonopy/default.nix
+++ b/pkgs/development/python-modules/phonopy/default.nix
@@ -1,53 +1,59 @@
 {
   lib,
   buildPythonPackage,
-  fetchPypi,
+  fetchFromGitHub,
+
+  # build-system
+  cmake,
+  nanobind,
+  ninja,
   numpy,
-  pyyaml,
-  matplotlib,
+  scikit-build-core,
+  setuptools,
+  setuptools-scm,
+
+  # dependencies
   h5py,
+  matplotlib,
+  pyyaml,
   scipy,
   spglib,
+  symfc,
+
   pytestCheckHook,
-  pythonOlder,
-  setuptools,
-  scikit-build-core,
-  cmake,
-  setuptools-scm,
-  ninja,
-  pkg-config,
-  nanobind,
 }:
 
 buildPythonPackage rec {
   pname = "phonopy";
-  version = "2.34.1";
+  version = "2.37.0";
   pyproject = true;
 
-  disabled = pythonOlder "3.7";
-
-  src = fetchPypi {
-    inherit pname version;
-    hash = "sha256-54lKi1zuT/m8pftZc5Oq9advU7hqcrLi/PUX/DL4g2U=";
+  src = fetchFromGitHub {
+    owner = "phonopy";
+    repo = "phonopy";
+    tag = "v${version}";
+    hash = "sha256-Asrgf4sTriEOv4Vovejshl5HXAYQEckxbHvZ7GmSQgg=";
   };
 
-  nativeBuildInputs = [
-    setuptools
-    scikit-build-core
-    nanobind
-    setuptools-scm
-    ninja
+  build-system = [
     cmake
+    nanobind
+    ninja
+    numpy
+    scikit-build-core
+    setuptools
+    setuptools-scm
   ];
   dontUseCmakeConfigure = true;
 
-  propagatedBuildInputs = [
+  dependencies = [
     h5py
     matplotlib
     numpy
     pyyaml
     scipy
     spglib
+    symfc
   ];
 
   nativeCheckInputs = [ pytestCheckHook ];
@@ -59,11 +65,11 @@ buildPythonPackage rec {
 
   pythonImportsCheck = [ "phonopy" ];
 
-  meta = with lib; {
+  meta = {
     description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels";
     homepage = "https://phonopy.github.io/phonopy/";
-    changelog = "https://github.com/phonopy/phonopy/blob/v${version}/doc/changelog.md";
-    license = licenses.bsd0;
-    maintainers = with maintainers; [ psyanticy ];
+    changelog = "http://phonopy.github.io/phonopy/changelog.html";
+    license = lib.licenses.bsd0;
+    maintainers = with lib.maintainers; [ psyanticy ];
   };
 }