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migrate from setup.py to pyproject.toml (deepmodeling#995)
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Follows PEP 621.
This PR also removes the automatic `__date__` -- it only reflects the
installation date.
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njzjz authored Oct 13, 2022
1 parent c757223 commit 4419d45
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4 changes: 0 additions & 4 deletions dpgen/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -21,10 +21,6 @@
from ._version import version as __version__
except ImportError:
__version__ = 'unkown'
try:
from ._date import date as __date__
except ImportError:
__date__ = 'unkown'

def info():
"""
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49 changes: 49 additions & 0 deletions pyproject.toml
Original file line number Diff line number Diff line change
@@ -0,0 +1,49 @@
[build-system]
requires = ["setuptools>=45", "setuptools_scm[toml]>=6.2"]
build-backend = "setuptools.build_meta"

[project]
name = "dpgen"
dynamic = ["version"]
description = "DP-GEN: The deep potential generator"
authors = [
{name = "DeepModeling"},
{name = "Han Wang", email = "[email protected]"},
]
license = {file = "LICENSE"}
classifiers = [
"Programming Language :: Python :: 3.6",
"License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
]
dependencies = [
'numpy>=1.14.3',
'dpdata>=0.2.6',
'pymatgen>=2022.7.19',
'ase',
'monty>2.0.0',
'paramiko',
'custodian',
'GromacsWrapper>=0.8.0',
'dpdispatcher>=0.3.11',
'netCDF4',
'dargs>=0.2.9',
'h5py',
'pymatgen-analysis-defects',
]
requires-python = ">=3.6"
readme = "README.md"
keywords = ["deep potential generator", "active learning", "deepmd-kit"]

[project.urls]
Homepage = "https://github.com/deepmodeling/dpgen"
documentation = "https://docs.deepmodeling.com/projects/dpgen"
repository = "https://github.com/deepmodeling/dpgen"

[project.entry-points.console_scripts]
dpgen = "dpgen.main:main"

[tool.setuptools.packages.find]
include = ["dpgen*"]

[tool.setuptools_scm]
write_to = "dpgen/_version.py"
74 changes: 0 additions & 74 deletions setup.py

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