pyrox.dev
python3Packages.ase: cleanup, skip failing test (#421266)
authored by Gaétan Lepage and committed by GitHub 41dc4c1e 3b0f152c
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pkgs/development/python-modules/ase/default.nix
+23
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pkgs/development/python-modules/ase/default.nix
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{
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lib,
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stdenv,
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fetchPypi,
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buildPythonPackage,
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isPy27,
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fetchPypi,
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pythonAtLeast,
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# build-system
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setuptools,
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numpy,
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scipy,
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matplotlib,
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# dependencies
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flask,
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matplotlib,
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numpy,
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pillow,
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psycopg2,
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scipy,
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tkinter,
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# tests
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addBinToPathHook,
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pytestCheckHook,
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pytest-mock,
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pytest-xdist,
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writableTmpDirAsHomeHook,
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}:
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buildPythonPackage rec {
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dependencies =
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[
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numpy
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scipy
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flask
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matplotlib
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flask
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numpy
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pillow
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psycopg2
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scipy
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]
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++ lib.optionals stdenv.hostPlatform.isDarwin [
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tkinter
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];
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nativeCheckInputs = [
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addBinToPathHook
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pytestCheckHook
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pytest-mock
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pytest-xdist
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writableTmpDirAsHomeHook
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];
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disabledTests = [
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# AssertionError: assert (1 != 0) == False
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# TypeError: list indices must be integers or slices, not numpy.bool
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"test_long"
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"test_fundamental_params"
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"test_ase_bandstructure"
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"test_imports"
···
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"test_ipi_protocol" # flaky
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] ++ lib.optionals (pythonAtLeast "3.12") [ "test_info_calculators" ];
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preCheck = ''
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export PATH="$out/bin:$PATH"
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'';
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pythonImportsCheck = [ "ase" ];
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meta = with lib; {
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meta = {
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description = "Atomic Simulation Environment";
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homepage = "https://wiki.fysik.dtu.dk/ase/";
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license = licenses.lgpl21Plus;
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license = lib.licenses.lgpl21Plus;
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maintainers = [ ];
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};
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}