pyrox.dev
1{ lib
2, pythonOlder
3, buildPythonPackage
4, fetchFromGitHub
5, cvxpy
6, dlx
7, docplex
8, fastdtw
9, h5py
10, networkx
11, numpy
12, psutil
13, qiskit-ignis
14, qiskit-terra
15, quandl
16, scikit-learn
17, yfinance
18 # Optional inputs
19, withTorch ? false
20, pytorch
21, withPyscf ? false
22, pyscf
23, withScikitQuant ? false
24, scikit-quant ? null
25, withCplex ? false
26, cplex ? null
27 # Check Inputs
28, ddt
29, pytestCheckHook
30, pytest-timeout
31, qiskit-aer
32}:
33
34buildPythonPackage rec {
35 pname = "qiskit-aqua";
36 version = "0.9.5";
37
38 disabled = pythonOlder "3.6";
39
40 # Pypi's tarball doesn't contain tests
41 src = fetchFromGitHub {
42 owner = "Qiskit";
43 repo = "qiskit-aqua";
44 rev = version;
45 sha256 = "sha256-7QmRwlbAVAR5KfM7tuObkb6+UgiuIm82iGWBuqfve08=";
46 };
47
48 # Optional packages: pyscf (see below NOTE) & pytorch. Can install via pip/nix if needed.
49 propagatedBuildInputs = [
50 cvxpy
51 docplex
52 dlx # Python Dancing Links package
53 fastdtw
54 h5py
55 networkx
56 numpy
57 psutil
58 qiskit-terra
59 qiskit-ignis
60 quandl
61 scikit-learn
62 yfinance
63 ] ++ lib.optionals (withTorch) [ pytorch ]
64 ++ lib.optionals (withPyscf) [ pyscf ]
65 ++ lib.optionals (withScikitQuant) [ scikit-quant ]
66 ++ lib.optionals (withCplex) [ cplex ];
67
68 # *** NOTE ***
69 # We make pyscf optional in this package, due to difficulties packaging it in Nix (test failures, complicated flags, etc).
70 # See nixpkgs#78772, nixpkgs#83447. You are welcome to try to package it yourself,
71 # or use the Nix User Repository version (https://github.com/drewrisinger/nur-packages).
72 # It can also be installed at runtime from the pip wheel.
73 # We disable appropriate tests below to allow building without pyscf installed
74
75 postPatch = ''
76 # Because this is a legacy/final release, the maintainers restricted the maximum
77 # versions of all dependencies to the latest current version. That will not
78 # work with nixpkgs' rolling release/update system.
79 # Unlock all versions for compatibility
80 substituteInPlace setup.py --replace "<=" ">="
81 sed -i 's/\(\w\+-*\w*\).*/\1/' requirements.txt
82 substituteInPlace requirements.txt --replace "dataclasses" ""
83
84 # Add ImportWarning when running qiskit.chemistry (pyscf is a chemistry package) that pyscf is not included
85 echo -e "\nimport warnings\ntry: import pyscf;\nexcept ImportError:\n " \
86 "warnings.warn('pyscf is not supported on Nixpkgs so some qiskit features will fail." \
87 "You must install it yourself via pip or add it to your environment from the Nix User Repository." \
88 "See https://github.com/NixOS/nixpkgs/pull/83447 for details', ImportWarning)\n" \
89 >> qiskit/chemistry/__init__.py
90
91 # Add ImportWarning when running qiskit.optimization that cplex (optimization package) is not included
92 echo -e "\nimport warnings\ntry: import cplex;\nexcept ImportError:\n " \
93 "warnings.warn('cplex is not supported on Nixpkgs so some qiskit features will fail." \
94 "You must install it yourself via pip or add it to your environment from the Nix User Repository." \
95 "', ImportWarning)\n" \
96 >> qiskit/optimization/__init__.py
97 '';
98
99 checkInputs = [
100 pytestCheckHook
101 ddt
102 pytest-timeout
103 qiskit-aer
104 ];
105 pythonImportsCheck = [
106 "qiskit.aqua"
107 "qiskit.aqua.algorithms"
108 "qiskit.chemistry"
109 "qiskit.finance"
110 "qiskit.ml"
111 "qiskit.optimization"
112 ];
113 pytestFlagsArray = [
114 "--timeout=30"
115 "--durations=10"
116 ];
117 disabledTestPaths = lib.optionals (!withPyscf) [
118 "test/chemistry/test_qeom_ee.py"
119 "test/chemistry/test_qeom_vqe.py"
120 "test/chemistry/test_vqe_uccsd_adapt.py"
121 "test/chemistry/test_bopes_sampler.py"
122 ];
123 disabledTests = [
124 # TODO: figure out why failing, only fail with upgrade to qiskit-terra > 0.16.1 & qiskit-aer > 0.7.2
125 # In test.aqua.test_amplitude_estimation.TestSineIntegral
126 "test_confidence_intervals_1"
127 "test_statevector_1"
128
129 # fails due to approximation error with latest qiskit-aer?
130 "test_application"
131
132 # Fail on CI for some reason, not locally
133 "test_binary"
134
135 # Online tests
136 "test_exchangedata"
137 "test_yahoo"
138
139 # Disabling slow tests > 10 seconds
140 "TestVQE"
141 "TestOOVQE"
142 "TestVQC"
143 "TestQSVM"
144 "TestOptimizerAQGD"
145 "test_graph_partition_vqe"
146 "TestLookupRotation"
147 "_vqe"
148 "TestHHL"
149 "TestQGAN"
150 "test_evaluate_qasm_mode"
151 "test_measurement_error_mitigation_auto_refresh"
152 "test_wikipedia"
153 "test_shor_factoring_1__15___qasm_simulator____3__5__"
154 "test_readme_sample"
155 "test_ecev"
156 "test_expected_value"
157 "test_qubo_gas_int_paper_example"
158 "test_shor_no_factors_1_5"
159 "test_shor_no_factors_2_7"
160 "test_evolve_2___suzuki___1__3_"
161 "test_delta"
162 "test_swaprz"
163 "test_deprecated_algo_result"
164 "test_unsorted_grouping"
165 "test_ad_hoc_data"
166 "test_nft"
167 "test_oh"
168 "test_confidence_intervals_00001"
169 "test_eoh"
170 "test_qasm_5"
171 "test_uccsd_hf"
172 ] ++ lib.optionals (!withPyscf) [
173 "test_validate" # test/chemistry/test_inputparser.py
174 ];
175
176 meta = with lib; {
177 description = "An extensible library of quantum computing algorithms";
178 homepage = "https://github.com/QISKit/qiskit-aqua";
179 changelog = "https://qiskit.org/documentation/release_notes.html";
180 license = licenses.asl20;
181 maintainers = with maintainers; [ drewrisinger ];
182 };
183}