nixpkgs/pkgs/development/python-modules/jax/default.nix

{
  lib,
  blas,
  buildPythonPackage,
  callPackage,
  setuptools,
  importlib-metadata,
  fetchFromGitHub,
  jaxlib,
  jaxlib-bin,
  jaxlib-build,
  hypothesis,
  lapack,
  matplotlib,
  ml-dtypes,
  numpy,
  opt-einsum,
  pytestCheckHook,
  pytest-xdist,
  pythonOlder,
  scipy,
  stdenv,
}:

let
  usingMKL = blas.implementation == "mkl" || lapack.implementation == "mkl";
in
buildPythonPackage rec {
  pname = "jax";
  version = "0.4.28";
  pyproject = true;

  disabled = pythonOlder "3.9";

  src = fetchFromGitHub {
    owner = "google";
    repo = "jax";
    # google/jax contains tags for jax and jaxlib. Only use jax tags!
    rev = "refs/tags/jax-v${version}";
    hash = "sha256-qSHPwi3is6Ts7pz5s4KzQHBMbcjGp+vAOsejW3o36Ek=";
  };

  nativeBuildInputs = [ setuptools ];

  # The version is automatically set to ".dev" if this variable is not set.
  # https://github.com/google/jax/commit/e01f2617b85c5bdffc5ffb60b3d8d8ca9519a1f3
  JAX_RELEASE = "1";

  # jaxlib is _not_ included in propagatedBuildInputs because there are
  # different versions of jaxlib depending on the desired target hardware. The
  # JAX project ships separate wheels for CPU, GPU, and TPU.
  propagatedBuildInputs = [
    ml-dtypes
    numpy
    opt-einsum
    scipy
  ] ++ lib.optional (pythonOlder "3.10") importlib-metadata;

  nativeCheckInputs = [
    hypothesis
    jaxlib
    matplotlib
    pytestCheckHook
    pytest-xdist
  ];

  # high parallelism will result in the tests getting stuck
  dontUsePytestXdist = true;

  # NOTE: Don't run the tests in the expiremental directory as they require flax
  # which creates a circular dependency. See https://discourse.nixos.org/t/how-to-nix-ify-python-packages-with-circular-dependencies/14648/2.
  # Not a big deal, this is how the JAX docs suggest running the test suite
  # anyhow.
  pytestFlagsArray = [
    "--numprocesses=4"
    "-W ignore::DeprecationWarning"
    "tests/"
  ];

  # Prevents `tests/export_back_compat_test.py::CompatTest::test_*` tests from failing on darwin with
  # PermissionError: [Errno 13] Permission denied: '/tmp/back_compat_testdata/test_*.py'
  # See https://github.com/google/jax/blob/jaxlib-v0.4.27/jax/_src/internal_test_util/export_back_compat_test_util.py#L240-L241
  # NOTE: this doesn't seem to be an issue on linux
  preCheck = lib.optionalString stdenv.isDarwin ''
    export TEST_UNDECLARED_OUTPUTS_DIR=$(mktemp -d)
  '';

  disabledTests =
    [
      # Exceeds tolerance when the machine is busy
      "test_custom_linear_solve_aux"
      # UserWarning: Explicitly requested dtype <class 'numpy.float64'>
      #  requested in astype is not available, and will be truncated to
      # dtype float32. (With numpy 1.24)
      "testKde3"
      "testKde5"
      "testKde6"
      # Invokes python manually in a subprocess, which does not have the correct dependencies
      # ImportError: This version of jax requires jaxlib version >= 0.4.19.
      "test_no_log_spam"
    ]
    ++ lib.optionals usingMKL [
      # See
      #  * https://github.com/google/jax/issues/9705
      #  * https://discourse.nixos.org/t/getting-different-results-for-the-same-build-on-two-equally-configured-machines/17921
      #  * https://github.com/NixOS/nixpkgs/issues/161960
      "test_custom_linear_solve_cholesky"
      "test_custom_root_with_aux"
      "testEigvalsGrad_shape"
    ]
    ++ lib.optionals stdenv.isAarch64 [
      # See https://github.com/google/jax/issues/14793.
      "test_for_loop_fixpoint_correctly_identifies_loop_varying_residuals_unrolled_for_loop"
      "testQdwhWithRandomMatrix3"
      "testScanGrad_jit_scan"

      # See https://github.com/google/jax/issues/17867.
      "test_array"
      "test_async"
      "test_copy0"
      "test_device_put"
      "test_make_array_from_callback"
      "test_make_array_from_single_device_arrays"

      # Fails on some hardware due to some numerical error
      # See https://github.com/google/jax/issues/18535
      "testQdwhWithOnRankDeficientInput5"
    ];

  disabledTestPaths = [
    # Segmentation fault. See https://gist.github.com/zimbatm/e9b61891f3bcf5e4aaefd13f94344fba
    "tests/linalg_test.py"
  ]
  ++ lib.optionals (stdenv.isDarwin && stdenv.isAarch64) [
    # RuntimeWarning: invalid value encountered in cast
    "tests/lax_test.py"
  ];

  pythonImportsCheck = [ "jax" ];

  # Test CUDA-enabled jax and jaxlib. Running CUDA-enabled tests is not
  # currently feasible within the nix build environment so we have to maintain
  # this script separately. See https://github.com/NixOS/nixpkgs/pull/256230
  # for a possible remedy to this situation.
  #
  # Run these tests with eg
  #
  #   NIXPKGS_ALLOW_UNFREE=1 nixglhost -- nix run --impure .#python3Packages.jax.passthru.tests.test_cuda_jaxlibBin
  passthru.tests = {
    test_cuda_jaxlibSource = callPackage ./test-cuda.nix {
      jaxlib = jaxlib-build.override { cudaSupport = true; };
    };
    test_cuda_jaxlibBin = callPackage ./test-cuda.nix {
      jaxlib = jaxlib-bin.override { cudaSupport = true; };
    };
  };

  # updater fails to pick the correct branch
  passthru.skipBulkUpdate = true;

  meta = with lib; {
    description = "Source-built JAX frontend: differentiate, compile, and transform Numpy code";
    longDescription = ''
      This is the JAX frontend package, it's meant to be used together with one of the jaxlib implementations,
      e.g. `python3Packages.jaxlib`, `python3Packages.jaxlib-bin`, or `python3Packages.jaxlibWithCuda`.
    '';
    homepage = "https://github.com/google/jax";
    license = licenses.asl20;
    maintainers = with maintainers; [ samuela ];
  };
}