diff --git a/pkgs/development/python-modules/pymatgen/default.nix b/pkgs/development/python-modules/pymatgen/default.nix index 303d7680e8d3..2b133f061bf3 100644 --- a/pkgs/development/python-modules/pymatgen/default.nix +++ b/pkgs/development/python-modules/pymatgen/default.nix @@ -31,7 +31,7 @@ buildPythonPackage rec { pname = "pymatgen"; - version = "2024.7.18"; + version = "2024.9.17.1"; pyproject = true; disabled = pythonOlder "3.8"; @@ -40,9 +40,14 @@ buildPythonPackage rec { owner = "materialsproject"; repo = "pymatgen"; rev = "refs/tags/v${version}"; - hash = "sha256-LL3cZO3LkmBuGGcO7dhO2Wtgqx9nxLureFpC8EqvS3M"; + hash = "sha256-o76bGItldcLfgZ5KDw2uL0GJvyljQJEwISR0topVR44="; }; + prePatch = '' + # Upstream switched to building against numpy2 but should still be compatible with numpy1 + substituteInPlace pyproject.toml --replace-fail "numpy>=2.1.0" "numpy>=1.26.0" + ''; + build-system = [ setuptools ]; nativeBuildInputs = [ @@ -87,20 +92,6 @@ buildPythonPackage rec { export PATH=$out/bin:$PATH ''; - disabledTests = [ - # presumably won't work with our dir layouts - "test_egg_sources_txt_is_complete" - # borderline precision failure - "test_thermal_conductivity" - # AssertionError - "test_dict_functionality" - "test_mean_field" - "test_potcar_not_found" - "test_read_write_lobsterin" - "test_snl" - "test_unconverged" - ]; - pythonImportsCheck = [ "pymatgen" ]; meta = with lib; { @@ -109,6 +100,5 @@ buildPythonPackage rec { changelog = "https://github.com/materialsproject/pymatgen/releases/tag/v${version}"; license = licenses.mit; maintainers = with maintainers; [ psyanticy ]; - broken = true; # tests segfault. that's bad. }; }