tjh.dev
1{ lib
2, stdenv
3, buildPythonPackage
4, cvxopt
5, cvxpy
6, cython
7, doCheck ? true
8, fetchFromGitHub
9, ipython
10, matplotlib
11, numpy
12, packaging
13, pytest-rerunfailures
14, pytestCheckHook
15, python
16, pythonOlder
17, scipy
18}:
19
20buildPythonPackage rec {
21 pname = "qutip";
22 version = "4.7.1";
23 format = "setuptools";
24
25 disabled = pythonOlder "3.7";
26
27 src = fetchFromGitHub {
28 owner = pname;
29 repo = pname;
30 rev = "refs/tags/v${version}";
31 hash = "sha256-W5iqRWAB6D1Dnxz0Iyl7ZmP3yrXvLyV7BdBdIgFCiQY=";
32 };
33
34 nativeBuildInputs = [
35 cython
36 ];
37
38 propagatedBuildInputs = [
39 numpy
40 packaging
41 scipy
42 ];
43
44 nativeCheckInputs = [
45 pytestCheckHook
46 pytest-rerunfailures
47 ] ++ lib.flatten (builtins.attrValues passthru.optional-dependencies);
48
49 # Disabling OpenMP support on Darwin.
50 setupPyGlobalFlags = lib.optionals (!stdenv.isDarwin) [
51 "--with-openmp"
52 ];
53
54 # QuTiP tries to access the home directory to create an rc file for us.
55 # We need to go to another directory to run the tests from there.
56 # This is due to the Cython-compiled modules not being in the correct location
57 # of the source tree.
58 preCheck = ''
59 export HOME=$(mktemp -d);
60 export OMP_NUM_THREADS=$NIX_BUILD_CORES
61 mkdir -p test && cd test
62 '';
63
64 # For running tests, see https://qutip.org/docs/latest/installation.html#verifying-the-installation
65 checkPhase = ''
66 runHook preCheck
67 ${python.interpreter} -c "import qutip.testing; qutip.testing.run()"
68 runHook postCheck
69 '';
70
71 pythonImportsCheck = [
72 "qutip"
73 ];
74
75 passthru.optional-dependencies = {
76 graphics = [
77 matplotlib
78 ];
79 ipython = [
80 ipython
81 ];
82 semidefinite = [
83 cvxpy
84 cvxopt
85 ];
86 };
87
88 meta = with lib; {
89 broken = (stdenv.isLinux && stdenv.isAarch64);
90 description = "Open-source software for simulating the dynamics of closed and open quantum systems";
91 homepage = "https://qutip.org/";
92 license = licenses.bsd3;
93 maintainers = with maintainers; [ fabiangd ];
94 };
95}