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chore(build): move static part of dynamic metadata to pyproject.toml (deepmodeling#3618)
Signed-off-by: Jinzhe Zeng <[email protected]>
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-62
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‎backend/dynamic_metadata.py

+20-62
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,8 @@
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# SPDX-License-Identifier: LGPL-3.0-or-later
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import sys
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from pathlib import (
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Path,
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)
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from typing import (
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Dict,
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List,
@@ -12,6 +16,11 @@
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get_argument_from_env,
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)
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if sys.version_info >= (3, 11):
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import tomllib
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else:
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import tomli as tomllib
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__all__ = ["dynamic_metadata"]
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@@ -22,75 +31,24 @@ def __dir__() -> List[str]:
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def dynamic_metadata(
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field: str,
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settings: Optional[Dict[str, object]] = None,
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) -> str:
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):
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assert field in ["optional-dependencies", "entry-points", "scripts"]
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_, _, find_libpython_requires, extra_scripts, tf_version = get_argument_from_env()
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with Path("pyproject.toml").open("rb") as f:
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pyproject = tomllib.load(f)
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if field == "scripts":
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return {
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"dp": "deepmd.main:main",
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**pyproject["tool"]["deepmd_build_backend"]["scripts"],
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**extra_scripts,
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}
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elif field == "optional-dependencies":
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optional_dependencies = pyproject["tool"]["deepmd_build_backend"][
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"optional-dependencies"
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]
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optional_dependencies["lmp"].extend(find_libpython_requires)
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optional_dependencies["ipi"].extend(find_libpython_requires)
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return {
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"test": [
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"dpdata>=0.2.7",
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"ase",
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"pytest",
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"pytest-cov",
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"pytest-sugar",
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"dpgui",
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"mendeleev",
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],
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"docs": [
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"sphinx>=3.1.1",
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"sphinx_rtd_theme>=1.0.0rc1",
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"sphinx_markdown_tables",
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"myst-nb>=1.0.0rc0",
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"myst-parser>=0.19.2",
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"sphinx-design",
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"breathe",
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"exhale",
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"numpydoc",
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"ase",
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"deepmodeling-sphinx>=0.1.0",
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"dargs>=0.3.4",
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"sphinx-argparse",
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"pygments-lammps",
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"sphinxcontrib-bibtex",
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],
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"lmp": [
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"lammps~=2023.8.2.3.0",
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*find_libpython_requires,
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],
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"ipi": [
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"i-PI",
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*find_libpython_requires,
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],
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"gui": [
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"dpgui",
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],
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**optional_dependencies,
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**get_tf_requirement(tf_version),
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"cu11": [
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"nvidia-cuda-runtime-cu11",
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"nvidia-cublas-cu11",
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"nvidia-cufft-cu11",
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"nvidia-curand-cu11",
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"nvidia-cusolver-cu11",
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"nvidia-cusparse-cu11",
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"nvidia-cudnn-cu11<9",
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"nvidia-cuda-nvcc-cu11",
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],
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"cu12": [
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"nvidia-cuda-runtime-cu12",
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"nvidia-cublas-cu12",
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"nvidia-cufft-cu12",
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"nvidia-curand-cu12",
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"nvidia-cusolver-cu12",
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"nvidia-cusparse-cu12",
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"nvidia-cudnn-cu12<9",
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"nvidia-cuda-nvcc-cu12",
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],
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"torch": [
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"torch>=2a",
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],
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}

‎pyproject.toml

+66
Original file line numberDiff line numberDiff line change
@@ -4,6 +4,7 @@ requires = [
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# dynamic metadata API is still unstable
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"scikit-build-core>=0.5,<0.9,!=0.6.0",
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"packaging",
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'tomli >= 1.1.0 ; python_version < "3.11"',
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]
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build-backend = "backend.dp_backend"
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backend-path = ["."]
@@ -63,6 +64,71 @@ Homepage = "https://github.com/deepmodeling/deepmd-kit"
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documentation = "https://docs.deepmodeling.com/projects/deepmd"
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repository = "https://github.com/deepmodeling/deepmd-kit"
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67+
# Metadata below is dynamic. However, it still has static parts,
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# which can be read by the build backend.
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[tool.deepmd_build_backend.optional-dependencies]
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test = [
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"dpdata>=0.2.7",
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"ase",
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"pytest",
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"pytest-cov",
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"pytest-sugar",
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"dpgui",
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"mendeleev",
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]
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docs = [
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"sphinx>=3.1.1",
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"sphinx_rtd_theme>=1.0.0rc1",
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"sphinx_markdown_tables",
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"myst-nb>=1.0.0rc0",
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"myst-parser>=0.19.2",
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"sphinx-design",
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"breathe",
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"exhale",
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"numpydoc",
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"ase",
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"deepmodeling-sphinx>=0.1.0",
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"dargs>=0.3.4",
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"sphinx-argparse",
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"pygments-lammps",
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"sphinxcontrib-bibtex",
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]
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lmp = [
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"lammps~=2023.8.2.3.0",
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]
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ipi = [
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"i-PI",
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]
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gui = [
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"dpgui",
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]
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cu11 = [
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"nvidia-cuda-runtime-cu11",
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"nvidia-cublas-cu11",
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"nvidia-cufft-cu11",
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"nvidia-curand-cu11",
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"nvidia-cusolver-cu11",
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"nvidia-cusparse-cu11",
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"nvidia-cudnn-cu11<9",
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"nvidia-cuda-nvcc-cu11",
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]
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cu12 = [
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"nvidia-cuda-runtime-cu12",
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"nvidia-cublas-cu12",
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"nvidia-cufft-cu12",
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"nvidia-curand-cu12",
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"nvidia-cusolver-cu12",
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"nvidia-cusparse-cu12",
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"nvidia-cudnn-cu12<9",
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"nvidia-cuda-nvcc-cu12",
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]
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torch = [
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"torch>=2a",
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]
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129+
[tool.deepmd_build_backend.scripts]
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dp = "deepmd.main:main"
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66132
[tool.setuptools_scm]
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[tool.scikit-build]

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