1 files changed, 27 insertions, 7 deletions
diff --git a/pkgs/development/python-modules/ase/default.nix b/pkgs/development/python-modules/ase/default.nix
index ed3c019146e59..087e7415b58b3 100644
--- a/pkgs/development/python-modules/ase/default.nix
+++ b/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 {
@@ -21,14 +27,28 @@ 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 ];
 
-  # tests just hang most likely due to something with subprocesses and cli
-  doCheck = false;
+  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"
+  '';
 
   pythonImportsCheck = [ "ase" ];