Commit 752706cc authored by Gaetan Lepage's avatar Gaetan Lepage
Browse files

python3Packages.ase: cleanup, skip failing test

parent 9c7bbf0a

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

+23 −13
Original line number Diff line number Diff line 
{

  lib,

  stdenv,

  fetchPypi,

  buildPythonPackage,

  isPy27,

  fetchPypi,

  pythonAtLeast,



  # build-system

  setuptools,

  numpy,

  scipy,

  matplotlib,



  # dependencies

  flask,

  matplotlib,

  numpy,

  pillow,

  psycopg2,

  scipy,

  tkinter,



  # tests

  addBinToPathHook,

  pytestCheckHook,

  pytest-mock,

  pytest-xdist,

  writableTmpDirAsHomeHook,

}:



buildPythonPackage rec {
@@ -34,24 +42,30 @@ buildPythonPackage rec { 


  dependencies =

    [

      numpy

      scipy

      matplotlib

      flask

      matplotlib

      numpy

      pillow

      psycopg2

      scipy

    ]

    ++ lib.optionals stdenv.hostPlatform.isDarwin [

      tkinter

    ];



  nativeCheckInputs = [

    addBinToPathHook

    pytestCheckHook

    pytest-mock

    pytest-xdist

    writableTmpDirAsHomeHook

  ];



  disabledTests = [

    # AssertionError: assert (1 != 0) == False

    # TypeError: list indices must be integers or slices, not numpy.bool

    "test_long"



    "test_fundamental_params"

    "test_ase_bandstructure"

    "test_imports"
@@ -64,16 +78,12 @@ buildPythonPackage rec { 
    "test_ipi_protocol" # flaky

  ] ++ lib.optionals (pythonAtLeast "3.12") [ "test_info_calculators" ];



  preCheck = ''

    export PATH="$out/bin:$PATH"

  '';



  pythonImportsCheck = [ "ase" ];



  meta = with lib; {

  meta = {

    description = "Atomic Simulation Environment";

    homepage = "https://wiki.fysik.dtu.dk/ase/";

    license = licenses.lgpl21Plus;

    license = lib.licenses.lgpl21Plus;

    maintainers = [ ];

  };

}