push sheeet

pkgs/development/python-modules/boltztrap2/default.nix

@@ -0,0 +1,70 @@
+{
+  lib,
+  buildPythonPackage,
+  fetchPypi,
+  spglib,
+  numpy,
+  scipy,
+  matplotlib,
+  ase,
+  netcdf4,
+  pythonOlder,
+  cython,
+  cmake,
+  setuptools,
+  setuptools-scm,
+}:
+
+buildPythonPackage rec {
+  pname = "boltztrap2";
+  version = "25.3.1";
+
+  pyproject = true;
+
+  build-system = [
+    setuptools
+    setuptools-scm
+  ];
+
+  disabled = pythonOlder "3.5";
+
+  src = fetchPypi {
+    pname = "boltztrap2";
+    inherit version;
+    hash = "sha256-JUIGh/6AF+xYLmF3QN47/A5E9zPKdhO2lhn97giZJ48=";
+  };
+
+  postPatch = ''
+    substituteInPlace pyproject.toml \
+      --replace-fail "numpy>=2.0.0" "numpy"
+  '';
+
+  dontUseCmakeConfigure = true;
+
+  nativeBuildInputs = [
+    cmake
+    cython
+  ];
+
+  dependencies = [
+    spglib
+    numpy
+    scipy
+    matplotlib
+    ase
+    netcdf4
+  ];
+
+  # pypi release does no include files for tests
+  doCheck = false;
+
+  pythonImportsCheck = [ "BoltzTraP2" ];
+
+  meta = with lib; {
+    description = "Band-structure interpolator and transport coefficient calculator";
+    mainProgram = "btp2";
+    homepage = "http://www.boltztrap.org/";
+    license = licenses.gpl3Plus;
+    maintainers = [ ];
+  };
+}