diff --git a/pkgs/development/python-modules/ase/default.nix b/pkgs/development/python-modules/ase/default.nix index f468c370481e..a512bc2ae135 100644 --- a/pkgs/development/python-modules/ase/default.nix +++ b/pkgs/development/python-modules/ase/default.nix @@ -1,21 +1,29 @@ { 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 = [ ]; }; }