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{
lib,
stdenv,
buildPythonPackage,
fetchFromGitHub,
fetchpatch,
# build-system
setuptools,
setuptools-scm,
# dependencies
gpytorch,
linear-operator,
multipledispatch,
ninja,
pyre-extensions,
scipy,
threadpoolctl,
torch,
typing-extensions,
# optional-dependencies
pymoo,
# tests
jax,
numpyro,
pytestCheckHook,
pythonAtLeast,
}:
buildPythonPackage (finalAttrs: {
pname = "botorch";
version = "0.18.1";
pyproject = true;
__structuredAttrs = true;
src = fetchFromGitHub {
owner = "meta-pytorch";
repo = "botorch";
tag = "v${finalAttrs.version}";
hash = "sha256-tUTtImqPlbS8g1oLoTTCCWQbeLwLop13qPjFrQeMtb8=";
};
patches = [
# Allow scipy 1.18 in batched L-BFGS-B fast path
# https://github.com/meta-pytorch/botorch/pull/3328
(fetchpatch {
name = "scipy-1.18.patch";
url = "https://github.com/meta-pytorch/botorch/commit/611f14acc8c1b2f30ce2ae058568d90f96bbb2ec.patch";
hash = "sha256-PiXq9GmPaWQXh+emY7aNI53Y+ufl8K5uOFa8GD0clP8=";
})
];
build-system = [
setuptools
setuptools-scm
];
dependencies = [
gpytorch
linear-operator
multipledispatch
ninja
pyre-extensions
scipy
threadpoolctl
torch
typing-extensions
];
optional-dependencies = {
pymoo = [
pymoo
];
};
nativeCheckInputs = [
jax
numpyro
pytestCheckHook
];
disabledTestPaths = [
# Requires unpackaged pfns
"test_community/models/test_prior_fitted_network.py"
];
disabledTests = [
"test_all_cases_covered"
# Skip tests that take too much time
"TestQMultiObjectivePredictiveEntropySearch"
"TestQPredictiveEntropySearch"
]
++ lib.optionals (pythonAtLeast "3.13") [
# RuntimeError: Boolean value of Tensor with more than one value is ambiguous
"test_optimize_acqf_mixed_binary_only"
]
++ lib.optionals (stdenv.hostPlatform.isLinux && stdenv.hostPlatform.isx86_64) [
# stuck tests on hydra
"test_moo_predictive_entropy_search"
]
++ lib.optionals (stdenv.hostPlatform.isLinux && stdenv.hostPlatform.isAarch64) [
# RuntimeError: Failed to initialize cpuinfo!
"test_append_features"
"test_delattr_ctx"
"test_input_perturbation"
"test_module_rollback_ctx"
"test_parameter_rollback_ctx"
"test_zero_grad_ctx"
]
++ lib.optionals (stdenv.hostPlatform.isDarwin) [
# RuntimeError: required keyword attribute 'value' has the wrong type
"test_posterior_in_trace_mode"
]
++ lib.optionals (stdenv.hostPlatform.isDarwin && stdenv.hostPlatform.isAarch64) [
# Numerical error slightly above threshold
# AssertionError: Tensor-likes are not close!
"test_model_list_gpytorch_model"
];
pythonImportsCheck = [ "botorch" ];
# needs lots of undisturbed CPU time or prone to getting stuck
requiredSystemFeatures = [ "big-parallel" ];
meta = {
changelog = "https://github.com/meta-pytorch/botorch/blob/${finalAttrs.src.tag}/CHANGELOG.md";
description = "Bayesian Optimization in PyTorch";
homepage = "https://botorch.org";
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ veprbl ];
};
})
|
