diff --git a/pkgs/development/python-modules/sumo/default.nix b/pkgs/development/python-modules/sumo/default.nix index 430f20c5bfa7..f26ceb4ab135 100644 --- a/pkgs/development/python-modules/sumo/default.nix +++ b/pkgs/development/python-modules/sumo/default.nix @@ -13,11 +13,12 @@ , spglib , castepxbin , pytestCheckHook +, colormath }: buildPythonPackage rec { pname = "sumo"; - version = "2.3.2"; + version = "2.3.3"; format = "setuptools"; disabled = pythonOlder "3.6"; @@ -26,39 +27,37 @@ buildPythonPackage rec { owner = "SMTG-UCL"; repo = "sumo"; rev = "refs/tags/v${version}"; - sha256 = "sha256-hY1rQG4s5j/lVvu5e+5e+GamKrYpviqxaWmq1qB6ejU="; + sha256 = "sha256-XEs4lLbVwN00UDnDC0kUNlut9RFXPfcyevBA1f1UqSU="; }; + postPatch = '' + # Loosen castepxbin dependency version pinning + # https://github.com/SMTG-UCL/sumo/issues/173 + substituteInPlace setup.py \ + --replace "castepxbin==0.1.0" "castepxbin>=0.1.0" + ''; + nativeBuildInputs = [ cython ]; propagatedBuildInputs = [ - spglib - numpy - scipy - h5py - pymatgen - phonopy - matplotlib - seekpath castepxbin + colormath + h5py + matplotlib + numpy + phonopy + pymatgen + scipy + seekpath + spglib ]; checkInputs = [ pytestCheckHook ]; - disabledTests = [ - # slight disagreement between caastepxbin versions - "test_castep_phonon_read_bands" - ]; - - postPatch = '' - substituteInPlace setup.py \ - --replace "castepxbin==0.1.0" "castepxbin>=0.1.0" - ''; - pythonImportsCheck = [ "sumo" ];