Merge pull request #329040 from pbsds/fix-monty-1721611245

python312Packages.monty: disable flaky test

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

@@ -63,6 +63,8 @@ buildPythonPackage rec {
     "test_Path_objects"
     "test_zopen"
     "test_zpath"
+    # flaky, precision/rounding error
+    "TestJson.test_datetime"
   ];
 
   meta = with lib; {

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

@@ -32,7 +32,7 @@
 
 buildPythonPackage rec {
   pname = "pymatgen";
-  version = "2024.6.10";
+  version = "2024.7.18";
   pyproject = true;
 
   disabled = pythonOlder "3.8";
@@ -41,7 +41,7 @@ buildPythonPackage rec {
     owner = "materialsproject";
     repo = "pymatgen";
     rev = "refs/tags/v${version}";
-    hash = "sha256-BV3zwb74ZnwTWUgKt5K6lZLASdO6/UQ8Ke3gBsLhy2M=";
+    hash = "sha256-LL3cZO3LkmBuGGcO7dhO2Wtgqx9nxLureFpC8EqvS3M";
   };
 
   build-system = [ setuptools ];
@@ -82,8 +82,6 @@ buildPythonPackage rec {
   ] ++ lib.flatten (builtins.attrValues passthru.optional-dependencies);
 
   preCheck = ''
-    # hide from tests
-    mv pymatgen _pymatgen
     # ensure tests can find these
     export PMG_TEST_FILES_DIR="$(realpath ./tests/files)"
     # some tests cover the command-line scripts

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

@@ -21,12 +21,12 @@
 
 buildPythonPackage rec {
   pname = "spglib";
-  version = "2.4.0";
+  version = "2.5.0";
   format = "pyproject";
 
   src = fetchPypi {
     inherit pname version;
-    hash = "sha256-bmP57mG3DxU6ItO1ULGD2lMfiQR1kX/OIDutRZeqwkM=";
+    hash = "sha256-+LtjiJe+kbnb1MCF2f3h9pBI9ZSeIPODLLlDjldBjUs=";
   };
 
   nativeBuildInputs = [
@@ -40,6 +40,12 @@ buildPythonPackage rec {
 
   dontUseCmakeConfigure = true;
 
+  postPatch = ''
+    # relax v2 constrain in [build-system] intended for binary backward compat
+    substituteInPlace pyproject.toml \
+      --replace-fail "numpy~=2.0" "numpy"
+  '';
+
   propagatedBuildInputs = [ numpy ];
 
   nativeCheckInputs = [