diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS index 62f0a93245..27ba460a36 100644 --- a/.github/CODEOWNERS +++ b/.github/CODEOWNERS @@ -70,6 +70,9 @@ physicsnemo/core/ @coreyjadams @CharlelieLrt @ktangsali # Reusable neural network building blocks physicsnemo/nn/ @loliverhennigh +# Symbolic PDE residual computation (PhysicsInformer) +physicsnemo/sym/ @ktangsali + # Functional operations (KNN, radius search, SDF) physicsnemo/nn/functional/ @loliverhennigh physicsnemo/nn/functional/knn/ @coreyjadams @peterdsharpe @loliverhennigh diff --git a/.importlinter b/.importlinter index c315528105..d2b2284956 100644 --- a/.importlinter +++ b/.importlinter @@ -13,6 +13,7 @@ containers= layers = experimental active_learning : diffusion + sym models : datapipes : metrics : domain_parallel : optim mesh nn @@ -104,6 +105,18 @@ layers = noise_schedulers utils +[importlinter:contract:physicsnemo-sym] +name = Control Internal Dependencies in PhysicsNeMo sym +type = layers +containers= + physicsnemo.sym +layers = + eq + graph + computation + utils + constants + [importlinter:contract:physicsnemo-external-imports] name = Prevent Non-listed external imports in physicsnemo type = forbidden_import diff --git a/CHANGELOG.md b/CHANGELOG.md index d94941c717..e7ac7f2659 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -46,6 +46,11 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 `uniform_grid_gradient`, `rectilinear_grid_gradient`, `spectral_grid_gradient`, `meshless_fd_derivatives`, `mesh_lsq_gradient`, and `mesh_green_gauss_gradient`. +- Adds `physicsnemo.sym` module for symbolic PDE residual computation + (`PhysicsInformer`). Users define PDEs via SymPy and select a gradient method + (`autodiff`, `finite_difference`, `spectral`, `meshless_finite_difference`, + `least_squares`); spatial derivatives are computed automatically using the + `nn.functional.derivatives` functionals. - Added geometry functionals in `physicsnemo.nn.functional` for `mesh_poisson_disk_sample`, `mesh_to_voxel_fraction`, and `signed_distance_field`. diff --git a/Dockerfile b/Dockerfile index d039a1e0f5..738e23d906 100644 --- a/Dockerfile +++ b/Dockerfile @@ -207,7 +207,7 @@ RUN if [ "$TARGETPLATFORM" = "linux/amd64" ] && [ "$NATTEN_AMD64_WHEEL" != "unkn RUN uv pip install --no-build-isolation "torch_sparse" # All pyproject extras (no dev); installs physicsnemo non-editable -RUN cd /physicsnemo && uv pip install ".[cu13,utils-extras,mesh-extras,datapipes-extras,gnns]" +RUN cd /physicsnemo && uv pip install ".[cu13,utils-extras,mesh-extras,datapipes-extras,gnns,sym]" # Cleanup builder stage RUN rm -rf /physicsnemo/ diff --git a/docs/api/physicsnemo.sym.rst b/docs/api/physicsnemo.sym.rst new file mode 100644 index 0000000000..aa0c2a3c45 --- /dev/null +++ b/docs/api/physicsnemo.sym.rst @@ -0,0 +1,17 @@ +PhysicsNeMo Sym +=============== + +Symbolic PDE residual computation for physics-informed training. + +.. autoclass:: physicsnemo.sym.eq.pde.PDE + :members: + :show-inheritance: + +.. autoclass:: physicsnemo.sym.eq.phy_informer.PhysicsInformer + :members: + :show-inheritance: + +.. autoclass:: physicsnemo.sym.eq.gradients.GradientCalculator + :members: + +.. autofunction:: physicsnemo.sym.eq.gradients.compute_connectivity_tensor diff --git a/physicsnemo/sym/__init__.py b/physicsnemo/sym/__init__.py new file mode 100644 index 0000000000..3638be2066 --- /dev/null +++ b/physicsnemo/sym/__init__.py @@ -0,0 +1,50 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""PhysicsNeMo Sym: symbolic PDE residual computation. + +Example +------- +>>> from sympy import Symbol, Function +>>> from physicsnemo.sym.eq.pde import PDE +>>> from physicsnemo.sym.eq.phy_informer import PhysicsInformer +>>> +>>> class Poisson(PDE): +... def __init__(self): +... self.dim = 2 +... x, y = Symbol("x"), Symbol("y") +... u = Function("u")(x, y) +... self.equations = {"poisson": u.diff(x, 2) + u.diff(y, 2)} +... +>>> pde = Poisson() +>>> pi = PhysicsInformer(["poisson"], pde, grad_method="autodiff") +>>> sorted(pi.required_inputs) +['coordinates', 'u'] +""" + +from physicsnemo.sym.eq.gradients import ( + GradientCalculator, + compute_connectivity_tensor, +) +from physicsnemo.sym.eq.pde import PDE +from physicsnemo.sym.eq.phy_informer import PhysicsInformer + +__all__ = [ + "GradientCalculator", + "PDE", + "PhysicsInformer", + "compute_connectivity_tensor", +] diff --git a/physicsnemo/sym/computation.py b/physicsnemo/sym/computation.py new file mode 100644 index 0000000000..0c10ca0275 --- /dev/null +++ b/physicsnemo/sym/computation.py @@ -0,0 +1,101 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Lightweight replacement for Sym's Node — wraps a callable with string-based I/O metadata.""" + +from __future__ import annotations + +from physicsnemo.sym.constants import diff_str + + +class Computation: + """A named unit in the computational graph. + + Parameters + ---------- + inputs : list[str] + Non-derivative input names (e.g. ``["u", "v", "p"]``). + outputs : list[str] + Output names produced by this computation. + evaluate : callable + A callable (typically ``torch.nn.Module``) mapping + ``Dict[str, Tensor] → Dict[str, Tensor]``. + name : str + Human-readable label for debugging. + """ + + def __init__( + self, + inputs: list[str], + outputs: list[str], + evaluate, + name: str = "Computation", + ): + if isinstance(inputs, str): + inputs = [inputs] + all_inputs = [str(x) for x in inputs] + self._inputs = [x for x in all_inputs if diff_str not in x] + self._derivatives = [x for x in all_inputs if diff_str in x] + self._outputs = [str(x) for x in outputs] + self.evaluate = evaluate + self._name = name + + @classmethod + def from_sympy(cls, eq, out_name, freeze_terms=None, detach_names=None): + """Build a Computation from a SymPy expression.""" + from physicsnemo.sym.utils.sympy.torch_printer import ( + SympyToTorch, + _subs_derivatives, + ) + + if freeze_terms is None: + freeze_terms = [] + if detach_names is None: + detach_names = [] + + sub_eq = _subs_derivatives(eq) + evaluate = SympyToTorch(sub_eq, out_name, freeze_terms, detach_names) + inputs = list(evaluate.keys) + outputs = [out_name] + return cls(inputs, outputs, evaluate, name="Sympy Computation: " + out_name) + + @property + def name(self) -> str: + """Human-readable label for this computation.""" + return self._name + + @property + def outputs(self) -> list[str]: + """Output names produced by this computation.""" + return self._outputs + + @property + def inputs(self) -> list[str]: + """Non-derivative input names.""" + return self._inputs + + @property + def derivatives(self) -> list[str]: + """Derivative input names (contain ``__``).""" + return self._derivatives + + def __str__(self) -> str: + return ( + f"computation: {self.name}\n" + f" inputs: {self.inputs}\n" + f" derivatives: {self.derivatives}\n" + f" outputs: {self.outputs}" + ) diff --git a/physicsnemo/sym/constants.py b/physicsnemo/sym/constants.py new file mode 100644 index 0000000000..ebd31b6e64 --- /dev/null +++ b/physicsnemo/sym/constants.py @@ -0,0 +1,29 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import numpy as np +import torch + +diff_str: str = "__" + + +def diff(y: str, x: str, degree: int = 1) -> str: + """Build a derivative name string: ``diff('u', 'x')`` → ``'u__x'``.""" + return diff_str.join([y] + degree * [x]) + + +tf_dt = torch.float32 +np_dt = np.float32 diff --git a/physicsnemo/sym/eq/__init__.py b/physicsnemo/sym/eq/__init__.py new file mode 100644 index 0000000000..db2cb19d02 --- /dev/null +++ b/physicsnemo/sym/eq/__init__.py @@ -0,0 +1,29 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from physicsnemo.sym.eq.gradients import ( + GradientCalculator, + compute_connectivity_tensor, +) +from physicsnemo.sym.eq.pde import PDE +from physicsnemo.sym.eq.phy_informer import PhysicsInformer + +__all__ = [ + "GradientCalculator", + "PDE", + "PhysicsInformer", + "compute_connectivity_tensor", +] diff --git a/physicsnemo/sym/eq/gradients.py b/physicsnemo/sym/eq/gradients.py new file mode 100644 index 0000000000..660403fa92 --- /dev/null +++ b/physicsnemo/sym/eq/gradients.py @@ -0,0 +1,528 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Spatial gradient modules that adapt modulus functionals for PhysicsInformer. + +Each module follows the contract ``forward(input_dict) -> dict[str, Tensor]``, +producing derivative entries keyed by the ``u__x`` naming convention. +""" + +from __future__ import annotations + +import logging +from itertools import combinations +from typing import Dict, List, Union + +import torch + +logger = logging.getLogger(__name__) + +_AXIS_NAMES = ["x", "y", "z"] + + +class GradientsAutoDiff(torch.nn.Module): + """Compute spatial derivatives via ``torch.autograd.grad``. + + Parameters + ---------- + invar : str + Name of the variable to differentiate (e.g. ``"u"``). + dim : int + Spatial dimensionality (1, 2, or 3). + order : int + Derivative order (1 or 2). + return_mixed_derivs : bool + If True and ``order=2``, include cross-derivatives like ``u__x__y``. + """ + + def __init__( + self, + invar: str, + dim: int = 3, + order: int = 1, + return_mixed_derivs: bool = False, + ): + super().__init__() + self.invar = invar + self.dim = dim + self.order = order + self.return_mixed_derivs = return_mixed_derivs + + def forward(self, input_dict: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + y = input_dict[self.invar] + x = input_dict["coordinates"] + + grad = _gradient_autodiff(y, [x]) + result: Dict[str, torch.Tensor] = {} + + if self.order == 1: + for axis in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[axis]}"] = grad[0][ + :, axis : axis + 1 + ] + elif self.order == 2: + for axis in range(self.dim): + second = _gradient_autodiff(grad[0][:, axis : axis + 1], [x]) + result[f"{self.invar}__{_AXIS_NAMES[axis]}__{_AXIS_NAMES[axis]}"] = ( + second[0][:, axis : axis + 1] + ) + + if self.return_mixed_derivs: + for ai, aj in combinations(range(self.dim), 2): + mixed = _gradient_autodiff(grad[0][:, ai : ai + 1], [x])[0][ + :, aj : aj + 1 + ] + result[f"{self.invar}__{_AXIS_NAMES[ai]}__{_AXIS_NAMES[aj]}"] = ( + mixed + ) + result[f"{self.invar}__{_AXIS_NAMES[aj]}__{_AXIS_NAMES[ai]}"] = ( + mixed + ) + return result + + +class GradientsFiniteDifference(torch.nn.Module): + """Compute spatial derivatives on uniform grids via ``UniformGridGradient``. + + Parameters + ---------- + invar : str + Name of the variable to differentiate (e.g. ``"u"``). + dx : float or list[float] + Uniform grid spacing per axis. + dim : int + Spatial dimensionality (1, 2, or 3). + order : int + Derivative order (1 or 2). + return_mixed_derivs : bool + If True and ``order=2``, include cross-derivatives like ``u__x__y``. + """ + + def __init__( + self, + invar: str, + dx: Union[float, List[float]], + dim: int = 3, + order: int = 1, + return_mixed_derivs: bool = False, + ): + super().__init__() + self.invar = invar + self.dim = dim + self.order = order + self.return_mixed_derivs = return_mixed_derivs + self.dx = [dx] * dim if isinstance(dx, (float, int)) else list(dx) + + def forward(self, input_dict: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + # Lazy import: nn.functional.derivatives sits in a lower layer and pulls + # in warp/FunctionSpec machinery; deferring keeps `import physicsnemo.sym` + # lightweight and avoids import-linter layer violations. + from physicsnemo.nn.functional.derivatives import uniform_grid_gradient + + u = input_dict[self.invar] + field = u[0, 0] + + result: Dict[str, torch.Tensor] = {} + + if self.order == 1: + grads = uniform_grid_gradient( + field, + spacing=self.dx, + derivative_orders=1, + include_mixed=False, + ) + for axis in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[axis]}"] = ( + grads[axis].unsqueeze(0).unsqueeze(0) + ) + elif self.order == 2: + grads = uniform_grid_gradient( + field, + spacing=self.dx, + derivative_orders=2, + include_mixed=self.return_mixed_derivs, + ) + idx = 0 + for axis in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[axis]}__{_AXIS_NAMES[axis]}"] = ( + grads[idx].unsqueeze(0).unsqueeze(0) + ) + idx += 1 + + if self.return_mixed_derivs: + for ai, aj in combinations(range(self.dim), 2): + val = grads[idx].unsqueeze(0).unsqueeze(0) + result[f"{self.invar}__{_AXIS_NAMES[ai]}__{_AXIS_NAMES[aj]}"] = val + result[f"{self.invar}__{_AXIS_NAMES[aj]}__{_AXIS_NAMES[ai]}"] = val + idx += 1 + return result + + +class GradientsSpectral(torch.nn.Module): + """Compute spatial derivatives via ``SpectralGridGradient``.""" + + def __init__( + self, + invar: str, + ell: Union[float, List[float]], + dim: int = 3, + order: int = 1, + return_mixed_derivs: bool = False, + ): + super().__init__() + self.invar = invar + self.dim = dim + self.order = order + self.return_mixed_derivs = return_mixed_derivs + self.ell = [ell] * dim if isinstance(ell, (float, int)) else list(ell) + + def forward(self, input_dict: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + # Lazy import (see GradientsFiniteDifference.forward for rationale). + from physicsnemo.nn.functional.derivatives import spectral_grid_gradient + + u = input_dict[self.invar] + field = u[0, 0] + + result: Dict[str, torch.Tensor] = {} + + if self.order == 1: + grads = spectral_grid_gradient( + field, + lengths=self.ell[: self.dim], + derivative_orders=1, + include_mixed=False, + ) + for axis in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[axis]}"] = ( + grads[axis].unsqueeze(0).unsqueeze(0) + ) + elif self.order == 2: + grads = spectral_grid_gradient( + field, + lengths=self.ell[: self.dim], + derivative_orders=2, + include_mixed=self.return_mixed_derivs, + ) + idx = 0 + for axis in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[axis]}__{_AXIS_NAMES[axis]}"] = ( + grads[idx].unsqueeze(0).unsqueeze(0) + ) + idx += 1 + + if self.return_mixed_derivs: + for ai, aj in combinations(range(self.dim), 2): + val = grads[idx].unsqueeze(0).unsqueeze(0) + result[f"{self.invar}__{_AXIS_NAMES[ai]}__{_AXIS_NAMES[aj]}"] = val + result[f"{self.invar}__{_AXIS_NAMES[aj]}__{_AXIS_NAMES[ai]}"] = val + idx += 1 + return result + + +class GradientsMeshlessFiniteDifference(torch.nn.Module): + """Compute spatial derivatives using meshless central differences. + + Expects stencil values in the input dict keyed as ``u>>x::1``, ``u>>x::-1``, etc. + """ + + def __init__( + self, + invar: str, + dx: Union[float, List[float]], + dim: int = 3, + order: int = 1, + return_mixed_derivs: bool = False, + ): + super().__init__() + self.invar = invar + self.dim = dim + self.order = order + self.return_mixed_derivs = return_mixed_derivs + self.dx = [dx] * dim if isinstance(dx, (float, int)) else list(dx) + + def forward(self, input_dict: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + result: Dict[str, torch.Tensor] = {} + v = self.invar + + if self.order == 1: + for axis in range(self.dim): + a = _AXIS_NAMES[axis] + pos = input_dict[f"{v}>>{a}::1"] + neg = input_dict[f"{v}>>{a}::-1"] + result[f"{v}__{a}"] = (pos - neg) / (2 * self.dx[axis]) + + elif self.order == 2: + center = input_dict[v] + for axis in range(self.dim): + a = _AXIS_NAMES[axis] + pos = input_dict[f"{v}>>{a}::1"] + neg = input_dict[f"{v}>>{a}::-1"] + result[f"{v}__{a}__{a}"] = (pos - 2 * center + neg) / ( + self.dx[axis] ** 2 + ) + + if self.return_mixed_derivs: + for ai, aj in combinations(range(self.dim), 2): + an_i, an_j = _AXIS_NAMES[ai], _AXIS_NAMES[aj] + pp = input_dict[f"{v}>>{an_i}::1&&{an_j}::1"] + pn = input_dict[f"{v}>>{an_i}::1&&{an_j}::-1"] + np_ = input_dict[f"{v}>>{an_i}::-1&&{an_j}::1"] + nn = input_dict[f"{v}>>{an_i}::-1&&{an_j}::-1"] + mixed = (pp - pn - np_ + nn) / (4 * self.dx[ai] * self.dx[aj]) + result[f"{v}__{an_i}__{an_j}"] = mixed + result[f"{v}__{an_j}__{an_i}"] = mixed + return result + + +class GradientsLeastSquares(torch.nn.Module): + """Compute spatial derivatives using least-squares gradient reconstruction. + + Uses ``MeshLSQGradient`` for first-order gradients and composes calls for + second-order (same approach as the original physicsnemo-sym implementation). + """ + + def __init__( + self, + invar: str, + dim: int = 3, + order: int = 1, + return_mixed_derivs: bool = False, + ): + super().__init__() + self.invar = invar + self.dim = dim + self.order = order + self.return_mixed_derivs = return_mixed_derivs + + def forward(self, input_dict: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + # Lazy import (see GradientsFiniteDifference.forward for rationale). + from physicsnemo.nn.functional.derivatives import mesh_lsq_gradient + + coords = input_dict["coordinates"].detach() + connectivity = input_dict["connectivity_tensor"] + offsets, indices = connectivity[0], connectivity[1] + + values = input_dict[self.invar].squeeze(-1) + first_grads = mesh_lsq_gradient(coords, values, offsets, indices) + + result: Dict[str, torch.Tensor] = {} + + if self.order == 1: + for axis in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[axis]}"] = first_grads[ + :, axis : axis + 1 + ] + return result + + derivs = [first_grads[:, a : a + 1] for a in range(self.dim)] + + if self.order == 2: + second_grads = [] + for a in range(self.dim): + sg = mesh_lsq_gradient(coords, derivs[a].squeeze(-1), offsets, indices) + second_grads.append(sg) + + for a in range(self.dim): + result[f"{self.invar}__{_AXIS_NAMES[a]}__{_AXIS_NAMES[a]}"] = ( + second_grads[a][:, a : a + 1] + ) + + if self.return_mixed_derivs: + for ai, aj in combinations(range(self.dim), 2): + mixed = second_grads[ai][:, aj : aj + 1] + result[f"{self.invar}__{_AXIS_NAMES[ai]}__{_AXIS_NAMES[aj]}"] = ( + mixed + ) + result[f"{self.invar}__{_AXIS_NAMES[aj]}__{_AXIS_NAMES[ai]}"] = ( + mixed + ) + return result + + +# --------------------------------------------------------------------------- +# Factory +# --------------------------------------------------------------------------- + + +class GradientCalculator: + """Factory for spatial gradient modules. + + Parameters + ---------- + device : str or torch.device or None + Target device for the created gradient modules. + + Examples + -------- + >>> import torch + >>> from physicsnemo.sym.eq.gradients import GradientCalculator + >>> calc = GradientCalculator(device="cpu") + >>> module = calc.get_gradient_module("autodiff", invar="u", dim=2, order=1) + """ + + def __init__(self, device=None): + self.device = device if device is not None else torch.device("cpu") + self._registry = { + "autodiff": GradientsAutoDiff, + "meshless_finite_difference": GradientsMeshlessFiniteDifference, + "finite_difference": GradientsFiniteDifference, + "spectral": GradientsSpectral, + "least_squares": GradientsLeastSquares, + } + + def get_gradient_module(self, method_name: str, invar: str, **kwargs): + """Return a gradient ``torch.nn.Module`` for the given method and variable.""" + module = self._registry[method_name](invar, **kwargs) + module.to(self.device) + return module + + def compute_gradients(self, input_dict, method_name=None, invar=None, **kwargs): + """Compute gradients in one shot (convenience wrapper).""" + module = self.get_gradient_module(method_name, invar, **kwargs) + return module.forward(input_dict) + + +# --------------------------------------------------------------------------- +# Utilities (used by tests / PhysicsInformer) +# --------------------------------------------------------------------------- + + +def _compute_stencil3d( + coords: torch.Tensor, + model: torch.nn.Module, + dx: float, + return_mixed_derivs: bool = False, +): + """Evaluate *model* at axis-aligned (and optionally diagonal) offset points. + + Returns a tuple of model outputs at shifted coordinates. Without mixed + derivs: 6 evaluations ``(+x, -x, +y, -y, +z, -z)``. With mixed derivs: + 18 evaluations (6 axis-aligned + 12 diagonal pairs). + """ + base = [coords[:, i : i + 1] for i in range(3)] + + def _eval(offsets): + shifted = [base[i] + offsets[i] * dx for i in range(3)] + return model(torch.cat(shifted, dim=1)) + + axis_offsets = [ + (1, 0, 0), + (-1, 0, 0), + (0, 1, 0), + (0, -1, 0), + (0, 0, 1), + (0, 0, -1), + ] + results = tuple(_eval(o) for o in axis_offsets) + + if not return_mixed_derivs: + return results + + diag_offsets = [ + (1, 1, 0), + (1, -1, 0), + (-1, 1, 0), + (-1, -1, 0), + (1, 0, 1), + (1, 0, -1), + (-1, 0, 1), + (-1, 0, -1), + (0, 1, 1), + (0, 1, -1), + (0, -1, 1), + (0, -1, -1), + ] + return results + tuple(_eval(o) for o in diag_offsets) + + +def compute_connectivity_tensor( + nodes: torch.Tensor, + edges: torch.Tensor, + max_neighbors: int | None = None, +) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor]: + """Build CSR adjacency from node/edge lists. + + Uses vectorized PyTorch ops (argsort + bincount) via the + ``physicsnemo.mesh.neighbors`` utilities. + + Parameters + ---------- + nodes : torch.Tensor + Node IDs with shape ``(N, 1)``. + edges : torch.Tensor + Edge pairs with shape ``(M, 2)``. + max_neighbors : int or None + Pad neighbor matrix to this width. If None, uses the maximum found. + + Returns + ------- + tuple[torch.Tensor, torch.Tensor, torch.Tensor] + ``(offsets, indices, neighbor_matrix)`` — CSR representation plus a + padded ``(N, max_neighbors)`` neighbor matrix for batched computation. + """ + from physicsnemo.mesh.neighbors._adjacency import build_adjacency_from_pairs + + num_nodes = nodes.numel() + device = nodes.device + + bidir = torch.cat([edges, edges.flip(1)], dim=0) + + sort_by_target = torch.argsort(bidir[:, 1], stable=True) + sort_indices = sort_by_target[torch.argsort(bidir[sort_by_target, 0], stable=True)] + sorted_edges = bidir[sort_indices] + + mask = torch.ones(len(sorted_edges), dtype=torch.bool, device=device) + mask[1:] = (sorted_edges[:-1] != sorted_edges[1:]).any(dim=1) + unique_edges = sorted_edges[mask] + + adj = build_adjacency_from_pairs(unique_edges[:, 0], unique_edges[:, 1], num_nodes) + + offsets = adj.offsets + indices = adj.indices + + if max_neighbors is None: + counts = offsets[1:] - offsets[:-1] + max_neighbors = int(counts.max().item()) if len(counts) > 0 else 0 + + neighbor_matrix = torch.full( + (num_nodes, max_neighbors), -1, dtype=torch.long, device=device + ) + for i in range(num_nodes): + s, e = offsets[i].item(), offsets[i + 1].item() + n_neigh = e - s + if n_neigh > 0: + neighbor_matrix[i, :n_neigh] = indices[s:e] + + return offsets, indices, neighbor_matrix + + +# --------------------------------------------------------------------------- +# Internal helpers +# --------------------------------------------------------------------------- + + +def _gradient_autodiff(y: torch.Tensor, x: List[torch.Tensor]) -> List[torch.Tensor]: + grad_outputs = [torch.ones_like(y, device=y.device)] + grad = torch.autograd.grad( + [y], + x, + grad_outputs=grad_outputs, + create_graph=True, + allow_unused=True, + ) + if grad is None: + return [torch.zeros_like(xx) for xx in x] + return [g if g is not None else torch.zeros_like(x[i]) for i, g in enumerate(grad)] diff --git a/physicsnemo/sym/eq/pde.py b/physicsnemo/sym/eq/pde.py new file mode 100644 index 0000000000..89115d3946 --- /dev/null +++ b/physicsnemo/sym/eq/pde.py @@ -0,0 +1,99 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Base class for symbolic PDE definitions.""" + +from __future__ import annotations + +from sympy import Eq, Function, Matrix, init_printing, preview + +from physicsnemo.sym.computation import Computation + + +class PDE: + """Base class for all partial differential equations. + + Subclasses must populate ``self.equations`` (a ``dict[str, sympy.Expr]``) + and set ``self.dim``. + + Examples + -------- + Define a 2-D advection-diffusion equation: + + >>> from sympy import Symbol, Function, Number + >>> from physicsnemo.sym.eq.pde import PDE + >>> + >>> class AdvectionDiffusion(PDE): + ... def __init__(self, D=0.1): + ... self.dim = 2 + ... x, y = Symbol("x"), Symbol("y") + ... T = Function("T")(x, y) + ... u = Function("u")(x, y) + ... v = Function("v")(x, y) + ... self.equations = { + ... "advection_diffusion": ( + ... u * T.diff(x) + v * T.diff(y) + ... - D * (T.diff(x, 2) + T.diff(y, 2)) + ... ), + ... } + ... + >>> pde = AdvectionDiffusion(D=0.01) + >>> pde.pprint() + advection_diffusion: ... + """ + + name = "PDE" + + def pprint(self, print_latex: bool = False) -> None: + """Pretty-print the equations.""" + init_printing(use_latex=True) + for key, value in self.equations.items(): + print(str(key) + ": " + str(value)) + if print_latex: + preview( + Matrix( + [ + Eq(Function(name, real=True), eq) + for name, eq in self.equations.items() + ] + ), + mat_str="cases", + mat_delim="", + ) + + def subs(self, x, y): + """Substitute *x* with *y* in all equations (calls SymPy ``subs``).""" + for name, eq in self.equations.items(): + self.equations[name] = eq.subs(x, y).doit() + + def make_computations( + self, + detach_names: list[str] | None = None, + ) -> list[Computation]: + """Convert each equation into a :class:`Computation`. + + Returns + ------- + list[Computation] + One computation per equation in ``self.equations``. + """ + if detach_names is None: + detach_names = [] + + return [ + Computation.from_sympy(eq, str(name), detach_names=detach_names) + for name, eq in self.equations.items() + ] diff --git a/physicsnemo/sym/eq/phy_informer.py b/physicsnemo/sym/eq/phy_informer.py new file mode 100644 index 0000000000..ccddb0531f --- /dev/null +++ b/physicsnemo/sym/eq/phy_informer.py @@ -0,0 +1,327 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""PhysicsInformer: PDE residual evaluator using modulus derivative functionals.""" + +from __future__ import annotations + +import copy +import logging +from typing import Dict, List, Optional, Union + +import numpy as np +import torch + +from physicsnemo.sym.computation import Computation +from physicsnemo.sym.eq.gradients import ( + GradientCalculator, + compute_connectivity_tensor, +) +from physicsnemo.sym.eq.pde import PDE +from physicsnemo.sym.graph import Graph + +logger = logging.getLogger(__name__) + + +class PhysicsInformer: + """Compute the residual of a PDE using automatic spatial derivative computation. + + Given a :class:`PDE` and a list of ``required_outputs``, this class builds a + computational graph that automatically computes spatial derivatives and evaluates + equation residuals. + + Parameters + ---------- + required_outputs : list[str] + Equation names to compute (e.g. ``["continuity", "momentum_x"]``). + equations : PDE + The PDE whose ``equations`` dict defines the symbolic residuals. + grad_method : str + One of ``"autodiff"``, ``"meshless_finite_difference"``, + ``"finite_difference"``, ``"spectral"``, ``"least_squares"``. + fd_dx : float or list[float] + Grid spacing for FD / meshless FD methods. + bounds : list[float] + Domain lengths for spectral method. + compute_connectivity : bool + If True and using ``"least_squares"``, build the connectivity tensor + on the fly from ``"nodes"`` and ``"edges"`` in the input dict. + device : str or torch.device or None + Target device. + + Examples + -------- + >>> import torch + >>> from sympy import Symbol, Function, Number + >>> from physicsnemo.sym.eq.pde import PDE + >>> from physicsnemo.sym.eq.phy_informer import PhysicsInformer + >>> + >>> class Diffusion(PDE): + ... def __init__(self, D=0.1): + ... self.dim = 2 + ... x, y = Symbol("x"), Symbol("y") + ... u = Function("u")(x, y) + ... self.equations = { + ... "diffusion": -D * (u.diff(x, 2) + u.diff(y, 2)), + ... } + ... + >>> pde = Diffusion(D=0.01) + >>> pi = PhysicsInformer( + ... required_outputs=["diffusion"], + ... equations=pde, + ... grad_method="finite_difference", + ... fd_dx=0.01, + ... ) + >>> field = torch.rand(1, 1, 32, 32) + >>> result = pi.forward({"u": field}) + >>> result["diffusion"].shape + torch.Size([1, 1, 32, 32]) + """ + + def __init__( + self, + required_outputs: List[str], + equations: PDE, + grad_method: str, + fd_dx: Union[float, List[float]] = 0.001, + bounds: List[float] | None = None, + compute_connectivity: bool = True, + device: Optional[str] = None, + ): + if bounds is None: + bounds = [2 * np.pi, 2 * np.pi, 2 * np.pi] + + self.required_outputs = required_outputs + self.equations = equations + self.dim = equations.dim + self.grad_method = grad_method + self.fd_dx = fd_dx + self.bounds = bounds + self.compute_connectivity = compute_connectivity + self.device = device if device is not None else torch.device("cpu") + + self.grad_calc = GradientCalculator(device=self.device) + self.computations = self.equations.make_computations() + + self.require_mixed_derivs = False + self.graph = self._create_graph() + + # ------------------------------------------------------------------ + # Public helpers + # ------------------------------------------------------------------ + + @property + def required_inputs(self) -> list[str]: + """Return the list of tensor names the ``forward`` call expects.""" + comp_outputs = [c.outputs[0] for c in self.computations] + node_inputs: set[str] = set() + + for name in self.required_outputs: + if name not in comp_outputs: + raise ValueError( + f"{name} not in equation outputs. Choose from {comp_outputs}" + ) + + fd, sd, others = self._extract_derivatives() + node_inputs.update(fd | sd | others) + + for comp in self.computations: + if comp.outputs[0] in self.required_outputs and comp.inputs: + node_inputs.update(comp.inputs) + + inputs = list(node_inputs) + + if self.grad_method == "meshless_finite_difference": + inputs = self._expand_for_meshless_fd(inputs) + elif self.grad_method == "autodiff": + inputs.append("coordinates") + elif self.grad_method == "least_squares": + inputs.append("coordinates") + if self.compute_connectivity: + inputs.extend(["nodes", "edges"]) + else: + inputs.append("connectivity_tensor") + return inputs + + # ------------------------------------------------------------------ + # Graph construction + # ------------------------------------------------------------------ + + def _create_graph(self) -> Graph: + first_deriv, second_deriv, _ = self._extract_derivatives() + + input_keys = list(self.required_inputs) + output_keys = list(self.required_outputs) + + diff_nodes = self._create_diff_nodes(first_deriv, dim=self.dim, order=1) + diff_nodes += self._create_diff_nodes(second_deriv, dim=self.dim, order=2) + + return Graph( + self.computations, input_keys, output_keys, diff_nodes=diff_nodes + ).to(self.device) + + def _extract_derivatives(self): + first_deriv: set[str] = set() + second_deriv: set[str] = set() + other_derivs: set[str] = set() + + for comp in self.computations: + if comp.outputs[0] in self.required_outputs: + for d in comp.derivatives: + self._process_derivative(d, first_deriv, second_deriv, other_derivs) + + first_consolidated = {s.split("__")[0] for s in first_deriv} + second_consolidated = {s.split("__")[0] for s in second_deriv} + return first_consolidated, second_consolidated, other_derivs + + def _process_derivative(self, d, first_deriv, second_deriv, other_derivs): + parts = d.split("__") + if len(parts) - 1 > 2: + raise ValueError("Only up to second-order PDEs are supported") + + allowed = {"x", "y", "z"} + for var in parts[1:]: + if var not in allowed: + logger.warning( + "Derivative w.r.t %s detected — must be supplied manually.", var + ) + other_derivs.add(d) + return + + if len(parts) - 1 == 2 and parts[1] != parts[2]: + self.require_mixed_derivs = True + + count = len(parts) - 1 + if count == 1: + first_deriv.add(d) + elif count == 2: + second_deriv.add(d) + + def _create_diff_nodes(self, derivatives, dim, order): + nodes: list[Computation] = [] + for var in derivatives: + node = self._create_diff_node(var, dim, order) + if node is not None: + nodes.append(node) + return nodes + + def _create_diff_node(self, var, dim, order): + methods = { + "finite_difference": self._fd_module, + "spectral": self._spectral_module, + "least_squares": self._ls_module, + "autodiff": self._autodiff_module, + "meshless_finite_difference": self._meshless_fd_module, + } + if self.grad_method not in methods: + return None + + module = methods[self.grad_method](var, dim, order) + output_keys = self._derivative_keys( + var, dim, order, return_mixed_derivs=self.require_mixed_derivs + ) + return Computation([var], output_keys, module) + + def _derivative_keys(self, var, dim, order, return_mixed_derivs=False): + base = ["__x", "__y", "__z"][:dim] + keys = [f"{var}{k * order}" for k in base] + if return_mixed_derivs and order == 2: + from itertools import combinations + + for ai, aj in combinations(range(dim), 2): + an = ["x", "y", "z"] + keys.append(f"{var}__{an[ai]}__{an[aj]}") + keys.append(f"{var}__{an[aj]}__{an[ai]}") + return keys + + # --- Module builders -------------------------------------------------- + + def _fd_module(self, var, dim, order): + return self.grad_calc.get_gradient_module( + "finite_difference", + var, + dx=self.fd_dx, + dim=dim, + order=order, + return_mixed_derivs=self.require_mixed_derivs and order == 2, + ) + + def _spectral_module(self, var, dim, order): + return self.grad_calc.get_gradient_module( + "spectral", + var, + ell=self.bounds, + dim=dim, + order=order, + return_mixed_derivs=self.require_mixed_derivs and order == 2, + ) + + def _ls_module(self, var, dim, order): + return self.grad_calc.get_gradient_module( + "least_squares", + var, + dim=dim, + order=order, + return_mixed_derivs=self.require_mixed_derivs and order == 2, + ) + + def _autodiff_module(self, var, dim, order): + return self.grad_calc.get_gradient_module( + "autodiff", + var, + dim=dim, + order=order, + return_mixed_derivs=self.require_mixed_derivs and order == 2, + ) + + def _meshless_fd_module(self, var, dim, order): + return self.grad_calc.get_gradient_module( + "meshless_finite_difference", + var, + dx=self.fd_dx, + dim=dim, + order=order, + return_mixed_derivs=self.require_mixed_derivs and order == 2, + ) + + # ------------------------------------------------------------------ + # Meshless FD helpers + # ------------------------------------------------------------------ + + def _expand_for_meshless_fd(self, node_inputs): + expanded = copy.deepcopy(node_inputs) + for name in node_inputs: + mfd_vars = [ + f"{name}>>x::1", + f"{name}>>x::-1", + f"{name}>>y::1", + f"{name}>>y::-1", + f"{name}>>z::1", + f"{name}>>z::-1", + ] + expanded.extend(mfd_vars[: 2 * self.dim]) + return expanded + + # ------------------------------------------------------------------ + # Forward + # ------------------------------------------------------------------ + + def forward(self, inputs: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + inputs = dict(inputs) + if self.grad_method == "least_squares" and self.compute_connectivity: + connectivity = compute_connectivity_tensor(inputs["nodes"], inputs["edges"]) + inputs["connectivity_tensor"] = connectivity + return self.graph.forward(inputs) diff --git a/physicsnemo/sym/graph.py b/physicsnemo/sym/graph.py new file mode 100644 index 0000000000..8294a069a5 --- /dev/null +++ b/physicsnemo/sym/graph.py @@ -0,0 +1,177 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Computational graph for PDE residual evaluation.""" + +from __future__ import annotations + +from copy import copy +from typing import Dict, List + +import torch + +from physicsnemo.sym.computation import Computation + + +class Graph(torch.nn.Module): + """Unroll a set of :class:`Computation` nodes into a sequential evaluation order. + + The scheduler uses a two-phase loop: + 1. Greedily schedule computations whose inputs *and* derivative inputs are + already available. + 2. When stuck, satisfy outstanding derivative requests using ``diff_nodes``. + + Parameters + ---------- + nodes : list[Computation] + Equation computations (produced by :meth:`PDE.make_computations`). + invar : list[str] + Names of tensors that will be provided in the forward call. + req_names : list[str] + Names of tensors that must be present in the output. + diff_nodes : list[Computation] + Derivative computations (gradient adapters). + """ + + def __init__( + self, + nodes: List[Computation], + invar: List[str], + req_names: List[str], + diff_nodes: List[Computation] | None = None, + ): + super().__init__() + + if diff_nodes is None: + diff_nodes = [] + + self.req_names = list(req_names) + + computable = set(_computable_names(nodes, invar)) + req_base = {n.split("__")[0] if "__" in n else n for n in req_names} + if not req_base.issubset(computable): + _print_graph_unroll_error(nodes, invar, req_names) + raise RuntimeError("Failed unrolling graph") + + necessary_nodes = _prune_nodes(copy(nodes), req_names) + + self.node_evaluation_order: list[Computation] = [] + outvar = list(invar) + + while True: + prev_len = len(outvar) + + while True: + finished = True + for i, node in enumerate(necessary_nodes): + if set(node.inputs + node.derivatives).issubset(set(outvar)): + self.node_evaluation_order.append(node) + outvar += node.outputs + necessary_nodes.pop(i) + finished = False + if finished: + break + + needed = [ + d + for d in _collect_needed_derivatives(necessary_nodes, req_names) + if d not in outvar + ] + if needed: + for dn in diff_nodes: + if (not set(dn.outputs).isdisjoint(set(needed))) and set( + dn.inputs + ).issubset(set(outvar)): + self.node_evaluation_order.append(dn) + outvar += dn.outputs + + if set(req_names).issubset(set(outvar)): + break + + if len(outvar) == prev_len: + unsatisfied = set(req_names) - set(outvar) + raise RuntimeError( + f"Graph scheduler stalled — cannot satisfy: {unsatisfied}. " + f"Available: {sorted(set(outvar))}. " + f"Remaining nodes: {[str(n) for n in necessary_nodes]}" + ) + + self.evaluation_order = torch.nn.ModuleList( + [n.evaluate for n in self.node_evaluation_order] + ) + self.node_names: List[str] = [n.name for n in self.node_evaluation_order] + + def forward(self, invar: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + outvar = dict(invar) + for i, module in enumerate(self.evaluation_order): + outvar.update(module(outvar)) + return {k: v for k, v in outvar.items() if k in self.req_names} + + +def _computable_names(nodes: list[Computation], invar: list[str]) -> list[str]: + """Fixed-point closure of names reachable from *invar* through *nodes*.""" + nodes = copy(nodes) + names = list(invar) + while True: + finished = True + for i, node in enumerate(nodes): + if set(node.inputs).issubset(set(names)): + names += node.outputs + nodes.pop(i) + finished = False + if finished: + return names + + +def _prune_nodes(nodes: list[Computation], req_names: list[str]) -> list[Computation]: + """Walk backwards from *req_names* and keep only needed nodes.""" + needed_names = set(req_names) | {n.split("__")[0] for n in req_names if "__" in n} + necessary: list[Computation] = [] + while True: + finished = True + for i, node in enumerate(nodes): + if not set(node.outputs).isdisjoint(needed_names): + needed_names.update(node.inputs) + needed_names.update(node.derivatives) + needed_names.update( + d.split("__")[0] for d in node.derivatives if "__" in d + ) + necessary.append(node) + nodes.pop(i) + finished = False + if finished: + return necessary + + +def _collect_needed_derivatives( + remaining_nodes: list[Computation], req_names: list[str] +) -> list[str]: + needed: list[str] = [] + for node in remaining_nodes: + needed += node.derivatives + needed += [x for x in req_names if "__" in x] + return needed + + +def _print_graph_unroll_error(nodes, invar, req_names): + print("=" * 60) + print("Could not unroll graph!") + print(f" invar: {invar}") + print(f" requested: {req_names}") + print(f" computable: {_computable_names(nodes, invar)}") + for node in nodes: + print(f" node: {node}") + print("=" * 60) diff --git a/physicsnemo/sym/utils/__init__.py b/physicsnemo/sym/utils/__init__.py new file mode 100644 index 0000000000..af85283aa4 --- /dev/null +++ b/physicsnemo/sym/utils/__init__.py @@ -0,0 +1,15 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. diff --git a/physicsnemo/sym/utils/sympy/__init__.py b/physicsnemo/sym/utils/sympy/__init__.py new file mode 100644 index 0000000000..af85283aa4 --- /dev/null +++ b/physicsnemo/sym/utils/sympy/__init__.py @@ -0,0 +1,15 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. diff --git a/physicsnemo/sym/utils/sympy/torch_printer.py b/physicsnemo/sym/utils/sympy/torch_printer.py new file mode 100644 index 0000000000..45e42a6449 --- /dev/null +++ b/physicsnemo/sym/utils/sympy/torch_printer.py @@ -0,0 +1,229 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""SymPy-to-PyTorch conversion utilities.""" + +from typing import Dict, List + +import numpy as np +import torch +from sympy import Add, Basic, Derivative, Function, Symbol, lambdify +from sympy.printing.str import StrPrinter + +from physicsnemo.sym.constants import diff_str, tf_dt + + +def torch_lambdify(f, r, separable=False): + """Generate a PyTorch callable from a SymPy expression.""" + try: + f = float(f) + except (TypeError, ValueError): + pass + if isinstance(f, (float, int, bool)): + + def loop_lambda(constant): + return lambda **x: torch.zeros_like(next(iter(x.items()))[1]) + constant + + return loop_lambda(f) + + variables = [k for k in r] if separable else [[k for k in r]] + return lambdify(variables, f, [TORCH_SYMPY_PRINTER]) + + +def _where_torch(conditions, x, y): + if isinstance(x, (int, float)): + x = float(x) * torch.ones_like(conditions) + if isinstance(y, (int, float)): + y = float(y) * torch.ones_like(conditions) + return torch.where(conditions, x, y) + + +def _heaviside_torch(x, values=0): + return torch.maximum(torch.sign(x), torch.zeros(1, device=x.device)) + + +def _sqrt_torch(x): + return torch.sqrt((x - 1e-6) * _heaviside_torch(x - 1e-6) + 1e-6) + + +def _or_torch(*x): + return_value = x[0] + for value in x: + return_value = torch.logical_or(return_value, value) + return return_value + + +def _and_torch(*x): + return_value = x[0] + for value in x: + return_value = torch.logical_and(return_value, value) + return return_value + + +def _min_torch(*x): + for value in x: + if not isinstance(value, (int, float)): + tensor_shape = list(map(int, value.shape)) + device = value.device + + x_only_tensors = [] + for value in x: + if isinstance(value, (int, float)): + value = torch.zeros(tensor_shape, device=device) + value + x_only_tensors.append(value) + + min_tensor, _ = torch.min(torch.stack(x_only_tensors, -1), -1) + return min_tensor + + +def _max_torch(*x): + for value in x: + if not isinstance(value, (int, float)): + tensor_shape = list(map(int, value.shape)) + device = value.device + + x_only_tensors = [] + for value in x: + if isinstance(value, (int, float)): + value = (torch.zeros(tensor_shape) + value).to(device) + x_only_tensors.append(value) + + max_tensor, _ = torch.max(torch.stack(x_only_tensors, -1), -1) + return max_tensor + + +def _dirac_delta_torch(x): + return torch.eq(x, 0.0).to(tf_dt) + + +TORCH_SYMPY_PRINTER = { + "abs": torch.abs, + "Abs": torch.abs, + "sign": torch.sign, + "ceiling": torch.ceil, + "floor": torch.floor, + "log": torch.log, + "exp": torch.exp, + "sqrt": _sqrt_torch, + "cos": torch.cos, + "acos": torch.acos, + "sin": torch.sin, + "asin": torch.asin, + "tan": torch.tan, + "atan": torch.atan, + "atan2": torch.atan2, + "cosh": torch.cosh, + "acosh": torch.acosh, + "sinh": torch.sinh, + "asinh": torch.asinh, + "tanh": torch.tanh, + "atanh": torch.atanh, + "erf": torch.erf, + "loggamma": torch.lgamma, + "Min": _min_torch, + "Max": _max_torch, + "Heaviside": _heaviside_torch, + "DiracDelta": _dirac_delta_torch, + "logical_or": _or_torch, + "logical_and": _and_torch, + "where": _where_torch, + "pi": np.pi, + "conjugate": torch.conj, +} + + +class CustomDerivativePrinter(StrPrinter): + """Print SymPy derivatives as ``u__x`` style names using ``diff_str``.""" + + def _print_Function(self, expr): + return expr.func.__name__ + + def _print_Derivative(self, expr): + prefix = str(expr.args[0].func) + for deriv_expr in expr.args[1:]: + prefix += deriv_expr[1] * (diff_str + str(deriv_expr[0])) + return prefix + + +def _subs_derivatives(expr): + """Replace SymPy Derivative and Function atoms with named Symbols.""" + while True: + try: + deriv = expr.atoms(Derivative).pop() + new_fn_name = str(deriv) + expr = expr.subs(deriv, Function(new_fn_name)(*deriv.free_symbols)) + except KeyError: + break + while True: + try: + fn = {fn for fn in expr.atoms(Function) if fn.class_key()[1] == 0}.pop() + new_symbol_name = str(fn) + expr = expr.subs(fn, Symbol(new_symbol_name)) + except KeyError: + break + return expr + + +# This global patch is required so that str(Derivative(u(x), x)) produces "u__x" +# instead of "Derivative(u(x), x)". The entire _subs_derivatives → SympyToTorch +# pipeline relies on this naming convention to wire derivative keys in the graph. +Basic.__str__ = lambda self: CustomDerivativePrinter().doprint(self) + + +class SympyToTorch(torch.nn.Module): + """Compile a SymPy expression into a callable PyTorch module.""" + + def __init__( + self, + sympy_expr, + name: str, + freeze_terms: List[int] | None = None, + detach_names: List[str] | None = None, + ): + super().__init__() + self.keys = sorted([k.name for k in sympy_expr.free_symbols]) + self.freeze_terms = freeze_terms if freeze_terms is not None else [] + if not self.freeze_terms: + self.torch_expr = torch_lambdify(sympy_expr, self.keys) + else: + if not all(x < len(Add.make_args(sympy_expr)) for x in freeze_terms): + raise ValueError( + "freeze_terms indices must be less than the number of terms in the expression" + ) + self.torch_expr = [] + for i in range(len(Add.make_args(sympy_expr))): + self.torch_expr.append( + torch_lambdify(Add.make_args(sympy_expr)[i], self.keys) + ) + self.freeze_list = list(self.torch_expr[i] for i in freeze_terms) + self.name = name + self.detach_names = detach_names if detach_names is not None else [] + + def forward(self, var: Dict[str, torch.Tensor]) -> Dict[str, torch.Tensor]: + args = [ + var[k].detach() if k in self.detach_names else var[k] for k in self.keys + ] + if not self.freeze_terms: + output = self.torch_expr(args) + else: + output = torch.zeros_like(var[self.keys[0]]) + for i, expr in enumerate(self.torch_expr): + if expr in self.freeze_list: + output += expr(args).detach() + else: + output += expr(args) + + return {self.name: output} diff --git a/pyproject.toml b/pyproject.toml index d460f2e523..438e01ecba 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -279,6 +279,10 @@ gnns = [ "nvidia-physicsnemo[model-extras]", ] +sym = [ + "sympy>=1.12", +] + perf = [ "transformer_engine[pytorch]", ] diff --git a/test/sym/__init__.py b/test/sym/__init__.py new file mode 100644 index 0000000000..af85283aa4 --- /dev/null +++ b/test/sym/__init__.py @@ -0,0 +1,15 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. diff --git a/test/sym/test_gradients.py b/test/sym/test_gradients.py new file mode 100644 index 0000000000..c4dfcaae0a --- /dev/null +++ b/test/sym/test_gradients.py @@ -0,0 +1,276 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import numpy as np +import pytest +import torch + +from physicsnemo.sym.eq.gradients import ( + GradientCalculator, + _compute_stencil3d, + compute_connectivity_tensor, +) + + +class Model(torch.nn.Module): + def __init__(self): + super().__init__() + + def forward(self, x): + return ( + torch.sin(x[:, 0:1]) * torch.sin(8 * x[:, 1:2]) * torch.sin(4 * x[:, 2:3]) + ) + + +@pytest.fixture +def general_setup(request): + device = request.param + steps = 100 + x = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + y = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + z = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + + xx, yy, zz = torch.meshgrid(x, y, z, indexing="ij") + coords = torch.stack([xx, yy, zz], dim=0).unsqueeze(0) + coords_unstructured = torch.stack([xx, yy, zz], dim=-1).reshape(-1, 3) + + model = Model().to(device) + + grad_u_analytical = { + "u__x": torch.cos(coords[:, 0:1]) + * torch.sin(8 * coords[:, 1:2]) + * torch.sin(4 * coords[:, 2:3]), + "u__y": torch.sin(coords[:, 0:1]) + * 8 + * torch.cos(8 * coords[:, 1:2]) + * torch.sin(4 * coords[:, 2:3]), + "u__z": torch.sin(coords[:, 0:1]) + * torch.sin(8 * coords[:, 1:2]) + * 4 + * torch.cos(4 * coords[:, 2:3]), + } + + return coords, coords_unstructured, grad_u_analytical, model + + +@pytest.fixture +def least_squares_setup(request): + device = request.param + steps = 100 + x = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + y = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + z = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + + xx, yy, zz = torch.meshgrid(x, y, z, indexing="ij") + coords = torch.stack([xx, yy, zz], dim=0).unsqueeze(0) + coords_unstructured = torch.stack([xx, yy, zz], dim=-1).reshape(-1, 3) + + model = Model().to(device) + + grad_u_analytical = { + "u__x": torch.cos(coords[:, 0:1]) + * torch.sin(8 * coords[:, 1:2]) + * torch.sin(4 * coords[:, 2:3]), + "u__y": torch.sin(coords[:, 0:1]) + * 8 + * torch.cos(8 * coords[:, 1:2]) + * torch.sin(4 * coords[:, 2:3]), + "u__z": torch.sin(coords[:, 0:1]) + * torch.sin(8 * coords[:, 1:2]) + * 4 + * torch.cos(4 * coords[:, 2:3]), + } + + indices = torch.arange(steps, device=device) + i, j, k = torch.meshgrid(indices, indices, indices, indexing="ij") + i = i.flatten() + j = j.flatten() + k = k.flatten() + index = i * steps * steps + j * steps + k + + edges = [] + if steps > 1: + edges.append( + torch.stack([index[: -steps * steps], index[steps * steps :]], dim=1) + ) + edges.append(torch.stack([index[:-steps], index[steps:]], dim=1)) + edges.append(torch.stack([index[:-1], index[1:]], dim=1)) + edges = torch.cat(edges).to(device) + + node_ids = torch.arange(coords_unstructured.size(0)).reshape(-1, 1).to(device) + connectivity_tensor = compute_connectivity_tensor(node_ids, edges) + + return ( + coords, + coords_unstructured, + grad_u_analytical, + model, + node_ids, + edges, + connectivity_tensor, + ) + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_gradients_autodiff(general_setup): + coords, coords_unstructured, grad_u_analytical, model = general_setup + grad_calc = GradientCalculator(device=coords.device) + + input_dict = {"coordinates": coords_unstructured, "u": model(coords_unstructured)} + grad_u_autodiff = grad_calc.compute_gradients( + input_dict, method_name="autodiff", invar="u" + ) + + pad = 2 + for key in grad_u_analytical.keys(): + error = torch.mean( + torch.abs( + grad_u_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - grad_u_autodiff[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + ) + ) + assert error < 0.2, f"Autodiff gradient error too high for {key}: {error}" + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_gradients_meshless_fd(general_setup): + coords, coords_unstructured, grad_u_analytical, model = general_setup + grad_calc = GradientCalculator(device=coords.device) + + po_posx, po_negx, po_posy, po_negy, po_posz, po_negz = _compute_stencil3d( + coords_unstructured, model, dx=0.001 + ) + stencil_map = { + "x::1": po_posx, + "x::-1": po_negx, + "y::1": po_posy, + "y::-1": po_negy, + "z::1": po_posz, + "z::-1": po_negz, + } + input_dict = {"u": model(coords_unstructured)} + input_dict.update({f"u>>{k}": v for k, v in stencil_map.items()}) + grads_u_meshless_fd = grad_calc.compute_gradients( + input_dict, method_name="meshless_finite_difference", invar="u", dx=0.001 + ) + + pad = 2 + for key in grad_u_analytical.keys(): + error = torch.mean( + torch.abs( + grad_u_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - grads_u_meshless_fd[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + ) + ) + assert error < 0.2, f"Meshless FD gradient error too high for {key}: {error}" + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_gradients_finite_difference(general_setup): + coords, coords_unstructured, grad_u_analytical, model = general_setup + grad_calc = GradientCalculator(device=coords.device) + + input_dict = {"u": model(coords)} + grads_u_fd = grad_calc.compute_gradients( + input_dict, method_name="finite_difference", invar="u", dx=2 * np.pi / 100 + ) + + pad = 2 + for key in grad_u_analytical.keys(): + error = torch.mean( + torch.abs( + grad_u_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - grads_u_fd[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.2, ( + f"Finite Difference gradient error too high for {key}: {error}" + ) + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_gradients_spectral(general_setup): + coords, coords_unstructured, grad_u_analytical, model = general_setup + grad_calc = GradientCalculator(device=coords.device) + + input_dict = {"u": model(coords)} + grads_u_spectral = grad_calc.compute_gradients( + input_dict, + method_name="spectral", + invar="u", + ell=[2 * np.pi, 2 * np.pi, 2 * np.pi], + ) + + pad = 2 + for key in grad_u_analytical.keys(): + error = torch.mean( + torch.abs( + grad_u_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - grads_u_spectral[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + ) + ) + assert error < 0.2, f"Spectral gradient error too high for {key}: {error}" + + +@pytest.mark.parametrize("least_squares_setup", ["cuda"], indirect=True) +def test_gradients_least_squares(least_squares_setup): + ( + coords, + coords_unstructured, + grad_u_analytical, + model, + node_ids, + edges, + connectivity_tensor, + ) = least_squares_setup + grad_calc = GradientCalculator(device=coords.device) + + input_dict = { + "u": model(coords_unstructured), + "coordinates": coords_unstructured, + "nodes": node_ids, + "edges": edges, + "connectivity_tensor": connectivity_tensor, + } + grads_u_ls = grad_calc.compute_gradients( + input_dict, method_name="least_squares", invar="u" + ) + + pad = 2 + for key in grad_u_analytical.keys(): + error = torch.mean( + torch.abs( + grad_u_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - grads_u_ls[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.2, f"Least Squares gradient error too high for {key}: {error}" diff --git a/test/sym/test_phy_informer.py b/test/sym/test_phy_informer.py new file mode 100644 index 0000000000..e937ab1749 --- /dev/null +++ b/test/sym/test_phy_informer.py @@ -0,0 +1,484 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import numpy as np +import pytest +import torch +from sympy import Function, Number, Symbol + +from physicsnemo.sym.eq.gradients import _compute_stencil3d +from physicsnemo.sym.eq.pde import PDE +from physicsnemo.sym.eq.phy_informer import PhysicsInformer + +# --------------------------------------------------------------------------- +# Inline Navier-Stokes PDE (replaces ported NavierStokes class) +# --------------------------------------------------------------------------- + + +class NavierStokes(PDE): + """Incompressible Navier-Stokes (steady, 3-D) for testing.""" + + def __init__(self, nu=0.01, rho=1.0, dim=3, time=False): + self.dim = dim + x, y, z = Symbol("x"), Symbol("y"), Symbol("z") + input_variables = {"x": x, "y": y, "z": z} + if dim < 3: + input_variables.pop("z") + if dim < 2: + input_variables.pop("y") + + u = Function("u")(*input_variables.values()) + v = Function("v")(*input_variables.values()) + w = Function("w")(*input_variables.values()) if dim == 3 else Number(0) + p = Function("p")(*input_variables.values()) + + nu = Number(nu) + rho = Number(rho) + + self.equations = {} + self.equations["continuity"] = ( + u.diff(x) + (v.diff(y) if dim >= 2 else 0) + (w.diff(z) if dim == 3 else 0) + ) + self.equations["momentum_x"] = ( + u * u.diff(x) + + (v * u.diff(y) if dim >= 2 else 0) + + (w * u.diff(z) if dim == 3 else 0) + + (1 / rho) * p.diff(x) + - nu * u.diff(x, 2) + - (nu * u.diff(y, 2) if dim >= 2 else 0) + - (nu * u.diff(z, 2) if dim == 3 else 0) + ) + + +# --------------------------------------------------------------------------- +# Model fixture +# --------------------------------------------------------------------------- + + +class Model(torch.nn.Module): + def __init__(self): + super().__init__() + + def forward(self, x): + u = ( + torch.sin(1 * x[:, 0:1]) + + torch.sin(8 * x[:, 1:2]) + + torch.sin(4 * x[:, 2:3]) + ) + v = ( + torch.sin(8 * x[:, 0:1]) + + torch.sin(2 * x[:, 1:2]) + + torch.sin(1 * x[:, 2:3]) + ) + w = ( + torch.sin(2 * x[:, 0:1]) + + torch.sin(2 * x[:, 1:2]) + + torch.sin(9 * x[:, 2:3]) + ) + p = ( + torch.sin(1 * x[:, 0:1]) + + torch.sin(1 * x[:, 1:2]) + + torch.sin(1 * x[:, 2:3]) + ) + return torch.cat([u, v, w, p], dim=1) + + +# --------------------------------------------------------------------------- +# Fixtures +# --------------------------------------------------------------------------- + + +@pytest.fixture +def general_setup(request): + device = request.param + steps = 100 + x = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + y = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + z = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + + xx, yy, zz = torch.meshgrid(x, y, z, indexing="ij") + coords = torch.stack([xx, yy, zz], dim=0).unsqueeze(0) + coords_unstructured = torch.stack([xx, yy, zz], dim=-1).reshape(-1, 3) + + model = Model().to(device) + + u = ( + torch.sin(1 * coords[:, 0:1]) + + torch.sin(8 * coords[:, 1:2]) + + torch.sin(4 * coords[:, 2:3]) + ) + v = ( + torch.sin(8 * coords[:, 0:1]) + + torch.sin(2 * coords[:, 1:2]) + + torch.sin(1 * coords[:, 2:3]) + ) + w = ( + torch.sin(2 * coords[:, 0:1]) + + torch.sin(2 * coords[:, 1:2]) + + torch.sin(9 * coords[:, 2:3]) + ) + + p__x = torch.cos(1 * coords[:, 0:1]) + u__x = torch.cos(1 * coords[:, 0:1]) + u__y = 8 * torch.cos(8 * coords[:, 1:2]) + u__z = 4 * torch.cos(4 * coords[:, 2:3]) + v__y = 2 * torch.cos(2 * coords[:, 1:2]) + w__z = 9 * torch.cos(9 * coords[:, 2:3]) + u__x__x = -1 * torch.sin(1 * coords[:, 0:1]) + u__y__y = -64 * torch.sin(8 * coords[:, 1:2]) + u__z__z = -16 * torch.sin(4 * coords[:, 2:3]) + + true_cont = u__x + v__y + w__z + true_mom_x = ( + u * u__x + + v * u__y + + w * u__z + + p__x + - 0.01 * u__x__x + - 0.01 * u__y__y + - 0.01 * u__z__z + ) + + residuals_analytical = {"continuity": true_cont, "momentum_x": true_mom_x} + return coords, coords_unstructured, residuals_analytical, model + + +@pytest.fixture +def least_squares_setup(request): + device = request.param + steps = 100 + x = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + y = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + z = torch.linspace(0, 2 * np.pi, steps=steps).requires_grad_(True).to(device) + + xx, yy, zz = torch.meshgrid(x, y, z, indexing="ij") + coords = torch.stack([xx, yy, zz], dim=0).unsqueeze(0) + coords_unstructured = torch.stack([xx, yy, zz], dim=-1).reshape(-1, 3) + + indices = torch.arange(steps, device=device) + i, j, k = torch.meshgrid(indices, indices, indices, indexing="ij") + i = i.flatten() + j = j.flatten() + k = k.flatten() + index = i * steps * steps + j * steps + k + + edges = [] + if steps > 1: + edges.append( + torch.stack([index[: -steps * steps], index[steps * steps :]], dim=1) + ) + edges.append(torch.stack([index[:-steps], index[steps:]], dim=1)) + edges.append(torch.stack([index[:-1], index[1:]], dim=1)) + edges = torch.cat(edges).to(device) + + node_ids = torch.arange(coords_unstructured.size(0)).reshape(-1, 1).to(device) + + model = Model().to(device) + + u = ( + torch.sin(1 * coords[:, 0:1]) + + torch.sin(8 * coords[:, 1:2]) + + torch.sin(4 * coords[:, 2:3]) + ) + v = ( + torch.sin(8 * coords[:, 0:1]) + + torch.sin(2 * coords[:, 1:2]) + + torch.sin(1 * coords[:, 2:3]) + ) + w = ( + torch.sin(2 * coords[:, 0:1]) + + torch.sin(2 * coords[:, 1:2]) + + torch.sin(9 * coords[:, 2:3]) + ) + + p__x = torch.cos(1 * coords[:, 0:1]) + u__x = torch.cos(1 * coords[:, 0:1]) + u__y = 8 * torch.cos(8 * coords[:, 1:2]) + u__z = 4 * torch.cos(4 * coords[:, 2:3]) + v__y = 2 * torch.cos(2 * coords[:, 1:2]) + w__z = 9 * torch.cos(9 * coords[:, 2:3]) + u__x__x = -1 * torch.sin(1 * coords[:, 0:1]) + u__y__y = -64 * torch.sin(8 * coords[:, 1:2]) + u__z__z = -16 * torch.sin(4 * coords[:, 2:3]) + + true_cont = u__x + v__y + w__z + true_mom_x = ( + u * u__x + + v * u__y + + w * u__z + + p__x + - 0.01 * u__x__x + - 0.01 * u__y__y + - 0.01 * u__z__z + ) + + residuals_analytical = {"continuity": true_cont, "momentum_x": true_mom_x} + return coords, coords_unstructured, residuals_analytical, model, node_ids, edges + + +# --------------------------------------------------------------------------- +# Tests — same structure and thresholds as physicsnemo-sym originals +# --------------------------------------------------------------------------- + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_residuals_autodiff(general_setup): + coords, coords_unstructured, residuals_analytical, model = general_setup + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + phy_informer = PhysicsInformer( + required_outputs=["continuity", "momentum_x"], + equations=ns, + grad_method="autodiff", + device=coords.device, + ) + pred_outvar = model(coords_unstructured) + residuals = phy_informer.forward( + { + "coordinates": coords_unstructured, + "u": pred_outvar[:, 0:1], + "v": pred_outvar[:, 1:2], + "w": pred_outvar[:, 2:3], + "p": pred_outvar[:, 3:4], + }, + ) + + pad = 2 + for key in residuals_analytical.keys(): + error = torch.mean( + torch.abs( + residuals_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - residuals[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.5, f"Autodiff gradient error too high for {key}: {error}" + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_residuals_meshless_fd(general_setup): + coords, coords_unstructured, residuals_analytical, model = general_setup + po_posx, po_negx, po_posy, po_negy, po_posz, po_negz = _compute_stencil3d( + coords_unstructured, model, dx=0.001 + ) + + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + phy_informer = PhysicsInformer( + required_outputs=["continuity", "momentum_x"], + equations=ns, + grad_method="meshless_finite_difference", + fd_dx=0.001, + device=coords.device, + ) + pred_outvar = model(coords_unstructured) + var_names = ["u", "v", "w", "p"] + stencil_map = { + "x::1": po_posx, + "x::-1": po_negx, + "y::1": po_posy, + "y::-1": po_negy, + "z::1": po_posz, + "z::-1": po_negz, + } + inputs = {name: pred_outvar[:, i : i + 1] for i, name in enumerate(var_names)} + for suffix, stencil in stencil_map.items(): + for i, name in enumerate(var_names): + inputs[f"{name}>>{suffix}"] = stencil[:, i : i + 1] + residuals = phy_informer.forward(inputs) + + pad = 2 + for key in residuals_analytical.keys(): + error = torch.mean( + torch.abs( + residuals_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - residuals[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.5, f"Meshless FD gradient error too high for {key}: {error}" + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_residuals_finite_difference(general_setup): + coords, coords_unstructured, residuals_analytical, model = general_setup + steps = 100 + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + phy_informer = PhysicsInformer( + required_outputs=["continuity", "momentum_x"], + equations=ns, + grad_method="finite_difference", + fd_dx=(2 * np.pi / steps), + device=coords.device, + ) + pred_outvar = model(coords) + residuals = phy_informer.forward( + { + "u": pred_outvar[:, 0:1], + "v": pred_outvar[:, 1:2], + "w": pred_outvar[:, 2:3], + "p": pred_outvar[:, 3:4], + }, + ) + + pad = 2 + for key in residuals_analytical.keys(): + error = torch.mean( + torch.abs( + residuals_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - residuals[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.5, ( + f"Finite Difference gradient error too high for {key}: {error}" + ) + + +@pytest.mark.parametrize("general_setup", ["cuda"], indirect=True) +def test_residuals_spectral(general_setup): + coords, coords_unstructured, residuals_analytical, model = general_setup + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + phy_informer = PhysicsInformer( + required_outputs=["continuity", "momentum_x"], + equations=ns, + grad_method="spectral", + bounds=[2 * np.pi, 2 * np.pi, 2 * np.pi], + device=coords.device, + ) + pred_outvar = model(coords) + residuals = phy_informer.forward( + { + "u": pred_outvar[:, 0:1], + "v": pred_outvar[:, 1:2], + "w": pred_outvar[:, 2:3], + "p": pred_outvar[:, 3:4], + }, + ) + + pad = 2 + for key in residuals_analytical.keys(): + error = torch.mean( + torch.abs( + residuals_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - residuals[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.5, f"Spectral gradient error too high for {key}: {error}" + + +@pytest.mark.parametrize("least_squares_setup", ["cuda"], indirect=True) +def test_residuals_least_squares(least_squares_setup): + ( + coords, + coords_unstructured, + residuals_analytical, + model, + node_ids, + edges, + ) = least_squares_setup + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + phy_informer = PhysicsInformer( + required_outputs=["continuity", "momentum_x"], + equations=ns, + grad_method="least_squares", + device=coords.device, + ) + pred_outvar = model(coords_unstructured) + residuals = phy_informer.forward( + { + "coordinates": coords_unstructured, + "nodes": node_ids, + "edges": edges, + "u": pred_outvar[:, 0:1], + "v": pred_outvar[:, 1:2], + "w": pred_outvar[:, 2:3], + "p": pred_outvar[:, 3:4], + }, + ) + + pad = 2 + for key in residuals_analytical.keys(): + error = torch.mean( + torch.abs( + residuals_analytical[key].reshape(100, 100, 100)[ + pad:-pad, pad:-pad, pad:-pad + ] + - residuals[key].reshape(100, 100, 100)[pad:-pad, pad:-pad, pad:-pad] + ) + ) + assert error < 0.5, f"Least Squares gradient error too high for {key}: {error}" + + +# --------------------------------------------------------------------------- +# Error handling tests +# --------------------------------------------------------------------------- + + +def test_physics_informer_invalid_output(): + """Requesting a non-existent equation output raises ValueError.""" + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + with pytest.raises(ValueError, match="not in equation outputs"): + pi = PhysicsInformer( + required_outputs=["nonexistent_equation"], + equations=ns, + grad_method="autodiff", + ) + _ = pi.required_inputs + + +def test_physics_informer_required_inputs_autodiff(): + """Autodiff method requires 'coordinates' in the input list.""" + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + pi = PhysicsInformer( + required_outputs=["continuity"], + equations=ns, + grad_method="autodiff", + ) + assert "coordinates" in pi.required_inputs + + +def test_physics_informer_required_inputs_least_squares(): + """Least-squares method requires connectivity-related inputs.""" + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + pi = PhysicsInformer( + required_outputs=["continuity"], + equations=ns, + grad_method="least_squares", + compute_connectivity=True, + ) + inputs = pi.required_inputs + assert "coordinates" in inputs + assert "nodes" in inputs + assert "edges" in inputs + + +def test_pde_pprint(): + """PDE.pprint() runs without error.""" + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + ns.pprint() + + +def test_pde_make_computations(): + """make_computations() produces one Computation per equation.""" + ns = NavierStokes(nu=0.01, rho=1.0, dim=3, time=False) + comps = ns.make_computations() + assert len(comps) == len(ns.equations) + for comp in comps: + assert comp.outputs[0] in ns.equations diff --git a/uv.lock b/uv.lock index 1123a38262..c2aca56ed4 100644 --- a/uv.lock +++ b/uv.lock @@ -4,87 +4,109 @@ requires-python = ">=3.11, <3.14" resolution-markers = [ "python_full_version >= '3.13' and 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extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 's390x' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", "python_full_version >= 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extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 'aarch64' and platform_machine != 's390x' and platform_machine != 'x86_64' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 's390x' and platform_machine != 'x86_64' and sys_platform != 'win32' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 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platform_machine == 'ARM64' and sys_platform == 'win32' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 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and platform_machine == 's390x' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra == 'extra-18-nvidia-physicsnemo-cu12' and extra != 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'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", +] +dependencies = [ + { name = "cuda-bindings", version = "13.2.0", source = { registry = "https://pypi.org/simple" } }, + { name = "cuda-pathfinder" }, ] wheels = [ { url = "https://files.pythonhosted.org/packages/4a/da/b4dbe129f941afe1c24a09ba53521b78875626763d96414798a74763282f/cuda_python-13.2.0-py3-none-any.whl", hash = "sha256:2f092b0ec13a860115fa595411889ee939ad203450ea4f91e9461b174ea7b084", size = 8145, upload-time = "2026-03-11T13:55:19.143Z" }, @@ -1114,13 +1073,16 @@ source = { registry = "https://pypi.org/simple" } resolution-markers = [ "python_full_version >= '3.13' and platform_machine == 'aarch64'", "python_full_version >= '3.13' and platform_machine == 'x86_64'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 'aarch64' and platform_machine != 's390x' and platform_machine != 'x86_64') or (python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 's390x' and platform_machine != 'x86_64' and sys_platform != 'win32')", "python_full_version == '3.12.*' and platform_machine 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platform_machine != 's390x' and platform_machine != 'x86_64' and sys_platform != 'win32')", + "python_full_version >= '3.13' and platform_machine == 's390x'", + "python_full_version == '3.12.*' and platform_machine == 's390x'", + "python_full_version < '3.12' and platform_machine == 's390x'", ] wheels = [ { url = "https://files.pythonhosted.org/packages/d4/c8/7dce3a0b15b42a3b58e7d96eb22a687d3bf2c44e01d149a6874629cd9938/cuda_toolkit-12.8.1-py2.py3-none-any.whl", hash = "sha256:adc7906af4ecbf9a352f9dca5734eceb21daec281ccfcf5675e1d2f724fc2cba", size = 2283, upload-time = "2025-08-13T02:03:07.842Z" }, @@ -1128,25 +1090,37 @@ wheels = [ [package.optional-dependencies] cublas = [ - { name = "nvidia-cublas-cu12", marker = "sys_platform == 'linux' or sys_platform == 'win32' or (extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')" }, + { name = "nvidia-cublas-cu12", marker = "(sys_platform == 'linux' and extra == 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== 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and 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and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 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and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 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'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 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"python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and 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== 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 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'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "(python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13')", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra != 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine 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'x86_64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version >= '3.13' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version == '3.12.*' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'aarch64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine == 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", - "python_full_version < '3.12' and platform_machine != 'aarch64' and platform_machine != 'x86_64' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 'ARM64' and platform_machine != 's390x' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 'ARM64' and platform_machine != 's390x' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 's390x' and sys_platform == 'emscripten' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine != 's390x' and sys_platform != 'emscripten' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version < '3.12' and platform_machine == 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra != 'extra-18-nvidia-physicsnemo-natten-cu12' and extra == 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version >= '3.13' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "python_full_version == '3.12.*' and platform_machine == 'ARM64' and sys_platform == 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13'", + "(python_full_version >= '3.13' and platform_machine != 'ARM64' and platform_machine != 's390x' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 'extra-18-nvidia-physicsnemo-cu13' and extra == 'extra-18-nvidia-physicsnemo-natten-cu12' and extra != 'extra-18-nvidia-physicsnemo-natten-cu13') or (python_full_version >= '3.13' and platform_machine != 's390x' and sys_platform != 'win32' and extra != 'extra-18-nvidia-physicsnemo-cu12' and extra == 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