diff --git a/pkgs/development/python-modules/atomman/default.nix b/pkgs/development/python-modules/atomman/default.nix index 7f5b08fd4fe..7e1738ad33a 100644 --- a/pkgs/development/python-modules/atomman/default.nix +++ b/pkgs/development/python-modules/atomman/default.nix @@ -1,4 +1,5 @@ { lib +, ase , buildPythonPackage , cython , datamodeldict @@ -7,17 +8,19 @@ , numericalunits , numpy , pandas +, phonopy , potentials +, pymatgen , pytest , pythonOlder +, requests , scipy , toolz , xmltodict -, python }: buildPythonPackage rec { - version = "1.4.3"; + version = "1.4.4"; pname = "atomman"; format = "setuptools"; @@ -27,7 +30,7 @@ buildPythonPackage rec { owner = "usnistgov"; repo = "atomman"; rev = "v${version}"; - sha256 = "sha256-is47O59Pjrh9tPC1Y2+DVVcHbxmcjUOFOVGnNHuURoM="; + hash = "sha256-iLAB0KMtrTCyGpx+81QfHDPVDhq8OA6CDL/ipVRpyo0="; }; propagatedBuildInputs = [ @@ -38,19 +41,24 @@ buildPythonPackage rec { numpy pandas potentials + requests scipy toolz xmltodict ]; checkInputs = [ + ase + phonopy + pymatgen pytest ]; checkPhase = '' # pytestCheckHook doesn't work - py.test tests -k "not test_rootdir and not test_version \ - and not test_atomic_mass and not imageflags" + pytest tests -k "not test_rootdir and not test_version \ + and not test_atomic_mass and not imageflags" \ + --ignore tests/plot/test_interpolate.py ''; pythonImportsCheck = [