python312Packages.dscribe: fix build (#382006)

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

@@ -1,47 +1,85 @@
 {
-  buildPythonPackage,
   lib,
+  stdenv,
+  buildPythonPackage,
   fetchFromGitHub,
-  numpy,
-  scipy,
+
+  # build-system
+  pybind11,
+  setuptools,
+
+  # dependencies
   ase,
   joblib,
-  sparse,
-  pybind11,
+  numpy,
   scikit-learn,
+  scipy,
+  sparse,
+
+  # tests
+  pytestCheckHook,
 }:
 
 buildPythonPackage rec {
   pname = "dscribe";
   version = "2.1.1";
 
+  pyproject = true;
+
   src = fetchFromGitHub {
     owner = "singroup";
     repo = "dscribe";
-    rev = "v${version}";
+    tag = "v${version}";
     fetchSubmodules = true; # Bundles a specific version of Eigen
     hash = "sha256-2JY24cR2ie4+4svVWC4rm3Iy6Wfg0n2vkINz032kPWc=";
   };
 
-  pyproject = true;
-
   build-system = [
     pybind11
+    setuptools
   ];
 
   dependencies = [
-    numpy
-    scipy
     ase
     joblib
-    sparse
+    numpy
     scikit-learn
+    scipy
+    sparse
   ];
 
-  meta = with lib; {
+  pythonImportsCheck = [
+    "dscribe"
+    "dscribe.ext"
+  ];
+
+  # Prevents python from loading dscribe from the current working directory instead of using $out
+  preCheck = ''
+    rm -rf dscribe
+  '';
+
+  nativeCheckInputs = [
+    pytestCheckHook
+  ];
+
+  disabledTests =
+    [
+      # AttributeError: module 'numpy' has no attribute 'product'
+      "test_extended_system"
+    ]
+    ++ lib.optionals stdenv.hostPlatform.isDarwin [
+      # AssertionError on a numerical test
+      "test_cell_list"
+
+      # Fatal Python error: Aborted
+      # matplotlib/backend_bases.py", line 2654 in create_with_canvas
+      "test_examples"
+    ];
+
+  meta = {
     description = "Machine learning descriptors for atomistic systems";
     homepage = "https://github.com/SINGROUP/dscribe";
-    license = licenses.asl20;
-    maintainers = [ maintainers.sheepforce ];
+    license = lib.licenses.asl20;
+    maintainers = [ lib.maintainers.sheepforce ];
   };
 }