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{ lib
, pythonOlder
, buildPythonPackage
, fetchFromGitHub
, cvxpy
, dlx
, docplex
, fastdtw
, h5py
, networkx
, numpy
, psutil
, python
, qiskit-ignis
, qiskit-terra
, quandl
, scikitlearn
, yfinance
# Optional inputs
, withTorch ? false
, pytorch
, withPyscf ? false
, pyscf ? null
, withScikitQuant ? false
, scikit-quant ? null
, withCplex ? false
, cplex ? null
# Check Inputs
, ddt
, pytestCheckHook
, pytest-timeout
, qiskit-aer
}:
buildPythonPackage rec {
pname = "qiskit-aqua";
version = "0.8.1";
disabled = pythonOlder "3.6";
# Pypi's tarball doesn't contain tests
src = fetchFromGitHub {
owner = "Qiskit";
repo = "qiskit-aqua";
rev = version;
sha256 = "11qyya3vyq50wpzrzzl8v46yx5p72rhpqhybwn47qgazxgg82r1b";
};
# Optional packages: pyscf (see below NOTE) & pytorch. Can install via pip/nix if needed.
propagatedBuildInputs = [
cvxpy
docplex
dlx # Python Dancing Links package
fastdtw
h5py
networkx
numpy
psutil
qiskit-terra
qiskit-ignis
quandl
scikitlearn
yfinance
] ++ lib.optionals (withTorch) [ pytorch ]
++ lib.optionals (withPyscf) [ pyscf ]
++ lib.optionals (withScikitQuant) [ scikit-quant ]
++ lib.optionals (withCplex) [ cplex ];
# *** NOTE ***
# We make pyscf optional in this package, due to difficulties packaging it in Nix (test failures, complicated flags, etc).
# See nixpkgs#78772, nixpkgs#83447. You are welcome to try to package it yourself,
# or use the Nix User Repository version (https://github.com/drewrisinger/nur-packages).
# It can also be installed at runtime from the pip wheel.
# We disable appropriate tests below to allow building without pyscf installed
# NOTE: we remove cplex b/c we can't build pythonPackages.cplex.
# cplex is only distributed in manylinux1 wheel (no source), and Nix python is not manylinux1 compatible
postPatch = ''
substituteInPlace setup.py \
--replace "pyscf; sys_platform != 'win32'" "" \
--replace "cplex; python_version >= '3.6' and python_version < '3.8'" ""
# Add ImportWarning when running qiskit.chemistry (pyscf is a chemistry package) that pyscf is not included
echo -e "\nimport warnings\ntry: import pyscf;\nexcept ImportError:\n " \
"warnings.warn('pyscf is not supported on Nixpkgs so some qiskit features will fail." \
"You must install it yourself via pip or add it to your environment from the Nix User Repository." \
"See https://github.com/NixOS/nixpkgs/pull/83447 for details', ImportWarning)\n" \
>> qiskit/chemistry/__init__.py
# Add ImportWarning when running qiskit.optimization that cplex (optimization package) is not included
echo -e "\nimport warnings\ntry: import cplex;\nexcept ImportError:\n " \
"warnings.warn('cplex is not supported on Nixpkgs so some qiskit features will fail." \
"You must install it yourself via pip or add it to your environment from the Nix User Repository." \
"', ImportWarning)\n" \
>> qiskit/optimization/__init__.py
'';
postInstall = "rm -rf $out/${python.sitePackages}/docs"; # Remove docs dir b/c it can cause conflicts.
checkInputs = [
pytestCheckHook
ddt
pytest-timeout
qiskit-aer
];
pythonImportsCheck = [
"qiskit.aqua"
"qiskit.aqua.algorithms"
"qiskit.chemistry"
"qiskit.finance"
"qiskit.ml"
"qiskit.optimization"
];
pytestFlagsArray = [
"--timeout=30"
"--durations=10"
] ++ lib.optionals (!withPyscf) [
"--ignore=test/chemistry/test_qeom_ee.py"
"--ignore=test/chemistry/test_qeom_vqe.py"
"--ignore=test/chemistry/test_vqe_uccsd_adapt.py"
"--ignore=test/chemistry/test_bopes_sampler.py"
];
disabledTests = [
# Disabled due to missing pyscf
"test_validate" # test/chemistry/test_inputparser.py
# Online tests
"test_exchangedata"
"test_yahoo"
# Disabling slow tests > 10 seconds
"TestVQE"
"TestOOVQE"
"TestVQC"
"TestQSVM"
"TestOptimizerAQGD"
"test_graph_partition_vqe"
"TestLookupRotation"
"_vqe"
"TestHHL"
"TestQGAN"
"test_evaluate_qasm_mode"
"test_measurement_error_mitigation_auto_refresh"
"test_wikipedia"
"test_shor_factoring_1__15___qasm_simulator____3__5__"
"test_readme_sample"
"test_ecev"
"test_expected_value"
"test_qubo_gas_int_paper_example"
"test_shor_no_factors_1_5"
"test_shor_no_factors_2_7"
"test_evolve_2___suzuki___1__3_"
"test_delta"
"test_swaprz"
"test_deprecated_algo_result"
"test_unsorted_grouping"
"test_ad_hoc_data"
"test_nft"
"test_oh"
"test_confidence_intervals_00001"
"test_eoh"
"test_qasm_5"
"test_uccsd_hf"
];
meta = with lib; {
description = "An extensible library of quantum computing algorithms";
homepage = "https://github.com/QISKit/qiskit-aqua";
changelog = "https://qiskit.org/documentation/release_notes.html";
license = licenses.asl20;
maintainers = with maintainers; [ drewrisinger ];
};
}
|
