175 lines
5 KiB
Nix
175 lines
5 KiB
Nix
{ lib
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, pythonOlder
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, buildPythonPackage
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, fetchFromGitHub
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, cvxpy
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, dlx
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, docplex
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, fastdtw
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, h5py
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, networkx
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, numpy
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, psutil
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, python
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, qiskit-ignis
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, qiskit-terra
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, quandl
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, scikitlearn
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, yfinance
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# Optional inputs
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, withTorch ? false
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, pytorch
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, withPyscf ? false
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, pyscf ? null
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, withScikitQuant ? false
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, scikit-quant ? null
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, withCplex ? false
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, cplex ? null
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# Check Inputs
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, ddt
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, pytestCheckHook
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, pytest-timeout
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, qiskit-aer
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}:
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buildPythonPackage rec {
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pname = "qiskit-aqua";
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version = "0.9.0";
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disabled = pythonOlder "3.6";
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# Pypi's tarball doesn't contain tests
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src = fetchFromGitHub {
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owner = "Qiskit";
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repo = "qiskit-aqua";
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rev = version;
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hash = "sha256-knue9uJih72UQHsvfXZ9AA94mol4ERa9Lo/GMcp+2hA=";
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};
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# Optional packages: pyscf (see below NOTE) & pytorch. Can install via pip/nix if needed.
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propagatedBuildInputs = [
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cvxpy
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docplex
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dlx # Python Dancing Links package
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fastdtw
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h5py
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networkx
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numpy
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psutil
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qiskit-terra
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qiskit-ignis
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quandl
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scikitlearn
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yfinance
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] ++ lib.optionals (withTorch) [ pytorch ]
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++ lib.optionals (withPyscf) [ pyscf ]
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++ lib.optionals (withScikitQuant) [ scikit-quant ]
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++ lib.optionals (withCplex) [ cplex ];
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# *** NOTE ***
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# We make pyscf optional in this package, due to difficulties packaging it in Nix (test failures, complicated flags, etc).
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# See nixpkgs#78772, nixpkgs#83447. You are welcome to try to package it yourself,
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# or use the Nix User Repository version (https://github.com/drewrisinger/nur-packages).
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# It can also be installed at runtime from the pip wheel.
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# We disable appropriate tests below to allow building without pyscf installed
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postPatch = ''
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# Because this is a legacy/final release, the maintainers restricted the maximum
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# versions of all dependencies to the latest current version. That will not
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# work with nixpkgs' rolling release/update system.
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# Unlock all versions for compatibility
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substituteInPlace setup.py --replace "<=" ">="
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sed -i 's/\(\w\+-*\w*\).*/\1/' requirements.txt
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substituteInPlace requirements.txt --replace "dataclasses" ""
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# Add ImportWarning when running qiskit.chemistry (pyscf is a chemistry package) that pyscf is not included
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echo -e "\nimport warnings\ntry: import pyscf;\nexcept ImportError:\n " \
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"warnings.warn('pyscf is not supported on Nixpkgs so some qiskit features will fail." \
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"You must install it yourself via pip or add it to your environment from the Nix User Repository." \
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"See https://github.com/NixOS/nixpkgs/pull/83447 for details', ImportWarning)\n" \
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>> qiskit/chemistry/__init__.py
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# Add ImportWarning when running qiskit.optimization that cplex (optimization package) is not included
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echo -e "\nimport warnings\ntry: import cplex;\nexcept ImportError:\n " \
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"warnings.warn('cplex is not supported on Nixpkgs so some qiskit features will fail." \
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"You must install it yourself via pip or add it to your environment from the Nix User Repository." \
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"', ImportWarning)\n" \
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>> qiskit/optimization/__init__.py
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'';
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postInstall = "rm -rf $out/${python.sitePackages}/docs"; # Remove docs dir b/c it can cause conflicts.
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checkInputs = [
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pytestCheckHook
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ddt
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pytest-timeout
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qiskit-aer
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];
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pythonImportsCheck = [
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"qiskit.aqua"
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"qiskit.aqua.algorithms"
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"qiskit.chemistry"
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"qiskit.finance"
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"qiskit.ml"
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"qiskit.optimization"
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];
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pytestFlagsArray = [
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"--timeout=30"
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"--durations=10"
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] ++ lib.optionals (!withPyscf) [
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"--ignore=test/chemistry/test_qeom_ee.py"
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"--ignore=test/chemistry/test_qeom_vqe.py"
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"--ignore=test/chemistry/test_vqe_uccsd_adapt.py"
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"--ignore=test/chemistry/test_bopes_sampler.py"
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];
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disabledTests = [
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# Disabled due to missing pyscf
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"test_validate" # test/chemistry/test_inputparser.py
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# Online tests
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"test_exchangedata"
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"test_yahoo"
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# Disabling slow tests > 10 seconds
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"TestVQE"
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"TestOOVQE"
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"TestVQC"
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"TestQSVM"
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"TestOptimizerAQGD"
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"test_graph_partition_vqe"
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"TestLookupRotation"
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"_vqe"
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"TestHHL"
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"TestQGAN"
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"test_evaluate_qasm_mode"
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"test_measurement_error_mitigation_auto_refresh"
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"test_wikipedia"
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"test_shor_factoring_1__15___qasm_simulator____3__5__"
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"test_readme_sample"
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"test_ecev"
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"test_expected_value"
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"test_qubo_gas_int_paper_example"
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"test_shor_no_factors_1_5"
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"test_shor_no_factors_2_7"
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"test_evolve_2___suzuki___1__3_"
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"test_delta"
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"test_swaprz"
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"test_deprecated_algo_result"
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"test_unsorted_grouping"
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"test_ad_hoc_data"
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"test_nft"
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"test_oh"
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"test_confidence_intervals_00001"
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"test_eoh"
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"test_qasm_5"
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"test_uccsd_hf"
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];
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meta = with lib; {
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description = "An extensible library of quantum computing algorithms";
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homepage = "https://github.com/QISKit/qiskit-aqua";
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changelog = "https://qiskit.org/documentation/release_notes.html";
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license = licenses.asl20;
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maintainers = with maintainers; [ drewrisinger ];
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};
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}
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