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{
lib,
stdenv,
buildPythonPackage,
fetchFromGitHub,
# build-system
cython,
oldest-supported-numpy,
setuptools,
# dependencies
numpy,
packaging,
scipy,
# tests
pytestCheckHook,
pytest-rerunfailures,
writableTmpDirAsHomeHook,
python,
# optional-dependencies
matplotlib,
ipython,
cvxopt,
cvxpy,
}:
buildPythonPackage rec {
pname = "qutip";
version = "5.2.1";
pyproject = true;
src = fetchFromGitHub {
owner = "qutip";
repo = "qutip";
tag = "v${version}";
hash = "sha256-iM+RptMvLFF51v7OJPESYFB4WaYF5HxnfpqjYWAjAKU=";
};
postPatch =
# build-time constraint, used to ensure forward and backward compat
''
substituteInPlace pyproject.toml setup.cfg \
--replace-fail "numpy>=2.0.0" "numpy"
'';
build-system = [
cython
oldest-supported-numpy
setuptools
];
dependencies = [
numpy
packaging
scipy
];
nativeCheckInputs = [
pytestCheckHook
pytest-rerunfailures
writableTmpDirAsHomeHook
]
++ lib.concatAttrValues optional-dependencies;
# QuTiP tries to access the home directory to create an rc file for us.
# We need to go to another directory to run the tests from there.
# This is due to the Cython-compiled modules not being in the correct location
# of the source tree.
preCheck = ''
export OMP_NUM_THREADS=$NIX_BUILD_CORES
mkdir -p test && cd test
'';
# For running tests, see https://qutip.org/docs/latest/installation.html#verifying-the-installation
checkPhase = ''
runHook preCheck
${python.interpreter} -c "import qutip.testing; qutip.testing.run()"
runHook postCheck
'';
pythonImportsCheck = [ "qutip" ];
optional-dependencies = {
graphics = [ matplotlib ];
ipython = [ ipython ];
semidefinite = [
cvxopt
cvxpy
];
};
meta = {
description = "Open-source software for simulating the dynamics of closed and open quantum systems";
homepage = "https://qutip.org/";
changelog = "https://github.com/qutip/qutip/releases/tag/${src.tag}";
license = lib.licenses.bsd3;
maintainers = with lib.maintainers; [ fabiangd ];
badPlatforms = [
# Tests fail at ~80%
# ../tests/test_animation.py::test_result_state Fatal Python error: Aborted
lib.systems.inspect.patterns.isDarwin
# Several tests fail with a segfault
# ../tests/test_random.py::test_rand_super_bcsz[int-CSR-choi-None-rep(1)] Fatal Python error: Aborted
"aarch64-linux"
];
};
}
|
