tjh.dev
1{
2 lib,
3 buildPythonPackage,
4 cvxopt,
5 cvxpy,
6 cython_0,
7 fetchFromGitHub,
8 ipython,
9 matplotlib,
10 numpy,
11 oldest-supported-numpy,
12 packaging,
13 pytest-rerunfailures,
14 pytestCheckHook,
15 python,
16 pythonOlder,
17 scipy,
18 setuptools,
19}:
20
21buildPythonPackage rec {
22 pname = "qutip";
23 version = "5.0.4";
24 pyproject = true;
25
26 disabled = pythonOlder "3.7";
27
28 src = fetchFromGitHub {
29 owner = pname;
30 repo = pname;
31 rev = "refs/tags/v${version}";
32 hash = "sha256-KT5Mk0w6EKTUZzGRnQ6XQPZfH5ZXVuiD+EwSflNqHNo=";
33 };
34
35 postPatch = ''
36 # build-time constriant, used to ensure forward and backward compat
37 substituteInPlace pyproject.toml setup.cfg \
38 --replace-fail "numpy>=2.0.0" "numpy"
39 '';
40
41 nativeBuildInputs = [
42 cython_0
43 setuptools
44 oldest-supported-numpy
45 ];
46
47 propagatedBuildInputs = [
48 numpy
49 packaging
50 scipy
51 ];
52
53 nativeCheckInputs = [
54 pytestCheckHook
55 pytest-rerunfailures
56 ] ++ lib.flatten (builtins.attrValues optional-dependencies);
57
58 # QuTiP tries to access the home directory to create an rc file for us.
59 # We need to go to another directory to run the tests from there.
60 # This is due to the Cython-compiled modules not being in the correct location
61 # of the source tree.
62 preCheck = ''
63 export HOME=$(mktemp -d);
64 export OMP_NUM_THREADS=$NIX_BUILD_CORES
65 mkdir -p test && cd test
66 '';
67
68 # For running tests, see https://qutip.org/docs/latest/installation.html#verifying-the-installation
69 checkPhase = ''
70 runHook preCheck
71 ${python.interpreter} -c "import qutip.testing; qutip.testing.run()"
72 runHook postCheck
73 '';
74
75 pythonImportsCheck = [ "qutip" ];
76
77 optional-dependencies = {
78 graphics = [ matplotlib ];
79 ipython = [ ipython ];
80 semidefinite = [
81 cvxpy
82 cvxopt
83 ];
84 };
85
86 meta = with lib; {
87 description = "Open-source software for simulating the dynamics of closed and open quantum systems";
88 homepage = "https://qutip.org/";
89 changelog = "https://github.com/qutip/qutip/releases/tag/v${version}";
90 license = licenses.bsd3;
91 maintainers = with maintainers; [ fabiangd ];
92 };
93}