python312Packages.ase: use pyproject = true, enable tests

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

@@ -2,18 +2,24 @@
 , fetchPypi
 , buildPythonPackage
 , isPy27
+, pythonAtLeast
+, setuptools
 , numpy
 , scipy
 , matplotlib
 , flask
 , pillow
 , psycopg2
+, pytestCheckHook
+, pytest-mock
+, pytest-xdist
 }:
 
 buildPythonPackage rec {
   pname = "ase";
   version = "3.22.1";
-  format = "setuptools";
+  pyproject = true;
+
   disabled = isPy27;
 
   src = fetchPypi {
@@ -21,15 +27,29 @@ buildPythonPackage rec {
     hash = "sha256-AE32sOoEsRFMeQ+t/kXUEl6w5TElxmqTQlr4U9gqtDI=";
   };
 
-  propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];
+  build-system = [ setuptools ];
 
-  checkPhase = ''
-    $out/bin/ase test
+  dependencies = [ numpy scipy matplotlib flask pillow psycopg2 ];
+
+  nativeCheckInputs = [ pytestCheckHook pytest-mock pytest-xdist ];
+
+  disabledTests = [
+    "test_fundamental_params"
+    "test_ase_bandstructure"
+    "test_imports"
+    "test_units"
+    "test_favicon"
+    "test_vibrations_methods" # missing attribute
+    "test_jmol_roundtrip" # missing attribute
+  ]
+  ++ lib.optionals (pythonAtLeast "3.12") [
+    "test_info_calculators"
+  ];
+
+  preCheck = ''
+    export PATH="$out/bin:$PATH"
   '';
 
-  # tests just hang most likely due to something with subprocesses and cli
-  doCheck = false;
-
   pythonImportsCheck = [ "ase" ];
 
   meta = with lib; {