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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,133 @@ | ||
| # SPDX-License-Identifier: LGPL-3.0-or-later | ||
| import importlib | ||
| import os | ||
| import site | ||
| from functools import ( | ||
| lru_cache, | ||
| ) | ||
| from importlib.machinery import ( | ||
| FileFinder, | ||
| ) | ||
| from importlib.util import ( | ||
| find_spec, | ||
| ) | ||
| from pathlib import ( | ||
| Path, | ||
| ) | ||
| from sysconfig import ( | ||
| get_path, | ||
| ) | ||
| from typing import ( | ||
| Optional, | ||
| Union, | ||
| ) | ||
|
|
||
|
|
||
| @lru_cache | ||
| def find_paddle() -> tuple[Optional[str], list[str]]: | ||
| """Find PaddlePadle library. | ||
| Tries to find PaddlePadle in the order of: | ||
| 1. Environment variable `PADDLE_ROOT` if set | ||
| 2. The current Python environment. | ||
| 3. user site packages directory if enabled | ||
| 4. system site packages directory (purelib) | ||
| Considering the default PaddlePadle package still uses old CXX11 ABI, we | ||
| cannot install it automatically. | ||
| Returns | ||
| ------- | ||
| str, optional | ||
| PaddlePadle library path if found. | ||
| list of str | ||
| Paddle requirement if not found. Empty if found. | ||
| """ | ||
| if os.environ.get("DP_ENABLE_PADDLE", "0") == "0": | ||
| return None, [] | ||
| requires = [] | ||
| pd_spec = None | ||
|
|
||
| if (pd_spec is None or not pd_spec) and os.environ.get("PADDLE_ROOT") is not None: | ||
| site_packages = Path(os.environ.get("PADDLE_ROOT")).parent.absolute() | ||
| pd_spec = FileFinder(str(site_packages)).find_spec("paddle") | ||
|
|
||
| # get paddle spec | ||
| # note: isolated build will not work for backend | ||
| if pd_spec is None or not pd_spec: | ||
| pd_spec = find_spec("paddle") | ||
|
|
||
| if not pd_spec and site.ENABLE_USER_SITE: | ||
| # first search TF from user site-packages before global site-packages | ||
| site_packages = site.getusersitepackages() | ||
| if site_packages: | ||
| pd_spec = FileFinder(site_packages).find_spec("paddle") | ||
|
|
||
| if not pd_spec: | ||
| # purelib gets site-packages path | ||
| site_packages = get_path("purelib") | ||
| if site_packages: | ||
| pd_spec = FileFinder(site_packages).find_spec("paddle") | ||
|
|
||
| # get install dir from spec | ||
| try: | ||
| pd_install_dir = pd_spec.submodule_search_locations[0] # type: ignore | ||
| # AttributeError if ft_spec is None | ||
| # TypeError if submodule_search_locations are None | ||
| # IndexError if submodule_search_locations is an empty list | ||
| except (AttributeError, TypeError, IndexError): | ||
| pd_install_dir = None | ||
| requires.extend(get_pd_requirement()["paddle"]) | ||
| return pd_install_dir, requires | ||
|
|
||
|
|
||
| @lru_cache | ||
| def get_pd_requirement(pd_version: str = "") -> dict: | ||
| """Get PaddlePadle requirement when Paddle is not installed. | ||
| If pd_version is not given and the environment variable `PADDLE_VERSION` is set, use it as the requirement. | ||
| Parameters | ||
| ---------- | ||
| pd_version : str, optional | ||
| Paddle version | ||
| Returns | ||
| ------- | ||
| dict | ||
| PaddlePadle requirement. | ||
| """ | ||
| if pd_version is None: | ||
| return {"paddle": []} | ||
| if pd_version == "": | ||
| pd_version = os.environ.get("PADDLE_VERSION", "") | ||
|
|
||
| return { | ||
| "paddle": [ | ||
| "paddlepaddle>=3.0.0b1" if pd_version != "" else "paddlepaddle>=3.0.0b1", | ||
| ], | ||
| } | ||
|
|
||
|
|
||
| @lru_cache | ||
| def get_pd_version(pd_path: Optional[Union[str, Path]]) -> str: | ||
| """Get Paddle version from a Paddle Python library path. | ||
| Parameters | ||
| ---------- | ||
| pd_path : str or Path | ||
| Paddle Python library path, e.g. "/python3.10/site-packages/paddle/" | ||
| Returns | ||
| ------- | ||
| str | ||
| version | ||
| """ | ||
| if pd_path is None or pd_path == "": | ||
| return "" | ||
| version_file = Path(pd_path) / "version" / "__init__.py" | ||
| spec = importlib.util.spec_from_file_location("paddle.version", version_file) | ||
| module = importlib.util.module_from_spec(spec) | ||
| spec.loader.exec_module(module) | ||
| return module.full_version |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -40,6 +40,6 @@ def DeepPotential(*args, **kwargs): | |
|
|
||
|
|
||
| __all__ = [ | ||
| "__version__", | ||
| "DeepPotential", | ||
| "__version__", | ||
| ] | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,124 @@ | ||
| # SPDX-License-Identifier: LGPL-3.0-or-later | ||
| from importlib.util import ( | ||
| find_spec, | ||
| ) | ||
| from typing import ( | ||
| TYPE_CHECKING, | ||
| Callable, | ||
| ClassVar, | ||
| ) | ||
|
|
||
| from deepmd.backend.backend import ( | ||
| Backend, | ||
| ) | ||
|
|
||
| if TYPE_CHECKING: | ||
| from argparse import ( | ||
| Namespace, | ||
| ) | ||
|
|
||
| from deepmd.infer.deep_eval import ( | ||
| DeepEvalBackend, | ||
| ) | ||
| from deepmd.utils.neighbor_stat import ( | ||
| NeighborStat, | ||
| ) | ||
|
|
||
|
|
||
| @Backend.register("pd") | ||
| @Backend.register("paddle") | ||
| class PaddleBackend(Backend): | ||
| """Paddle backend.""" | ||
|
|
||
| name = "Paddle" | ||
| """The formal name of the backend.""" | ||
| features: ClassVar[Backend.Feature] = ( | ||
| Backend.Feature.ENTRY_POINT | ||
| | Backend.Feature.DEEP_EVAL | ||
| | Backend.Feature.NEIGHBOR_STAT | ||
| | Backend.Feature.IO | ||
| ) | ||
| """The features of the backend.""" | ||
| suffixes: ClassVar[list[str]] = [".json", ".pd"] | ||
| """The suffixes of the backend.""" | ||
|
|
||
| def is_available(self) -> bool: | ||
| """Check if the backend is available. | ||
| Returns | ||
| ------- | ||
| bool | ||
| Whether the backend is available. | ||
| """ | ||
| return find_spec("paddle") is not None | ||
|
|
||
| @property | ||
| def entry_point_hook(self) -> Callable[["Namespace"], None]: | ||
| """The entry point hook of the backend. | ||
| Returns | ||
| ------- | ||
| Callable[[Namespace], None] | ||
| The entry point hook of the backend. | ||
| """ | ||
| from deepmd.pd.entrypoints.main import main as deepmd_main | ||
|
|
||
| return deepmd_main | ||
|
|
||
| @property | ||
| def deep_eval(self) -> type["DeepEvalBackend"]: | ||
| """The Deep Eval backend of the backend. | ||
| Returns | ||
| ------- | ||
| type[DeepEvalBackend] | ||
| The Deep Eval backend of the backend. | ||
| """ | ||
| from deepmd.pd.infer.deep_eval import DeepEval as DeepEvalPD | ||
|
|
||
| return DeepEvalPD | ||
|
|
||
| @property | ||
| def neighbor_stat(self) -> type["NeighborStat"]: | ||
| """The neighbor statistics of the backend. | ||
| Returns | ||
| ------- | ||
| type[NeighborStat] | ||
| The neighbor statistics of the backend. | ||
| """ | ||
| from deepmd.pd.utils.neighbor_stat import ( | ||
| NeighborStat, | ||
| ) | ||
|
|
||
| return NeighborStat | ||
|
|
||
| @property | ||
| def serialize_hook(self) -> Callable[[str], dict]: | ||
| """The serialize hook to convert the model file to a dictionary. | ||
| Returns | ||
| ------- | ||
| Callable[[str], dict] | ||
| The serialize hook of the backend. | ||
| """ | ||
| from deepmd.pd.utils.serialization import ( | ||
| serialize_from_file, | ||
| ) | ||
|
|
||
| return serialize_from_file | ||
|
|
||
| @property | ||
| def deserialize_hook(self) -> Callable[[str, dict], None]: | ||
| """The deserialize hook to convert the dictionary to a model file. | ||
| Returns | ||
| ------- | ||
| Callable[[str, dict], None] | ||
| The deserialize hook of the backend. | ||
| """ | ||
| from deepmd.pd.utils.serialization import ( | ||
| deserialize_to_file, | ||
| ) | ||
|
|
||
| return deserialize_to_file |
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