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migrate from setup.py to pyproject.toml (deepmodeling#995)
Follows PEP 621. This PR also removes the automatic `__date__` -- it only reflects the installation date.
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[build-system] | ||
requires = ["setuptools>=45", "setuptools_scm[toml]>=6.2"] | ||
build-backend = "setuptools.build_meta" | ||
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[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"] | ||
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[project.urls] | ||
Homepage = "https://github.com/deepmodeling/dpgen" | ||
documentation = "https://docs.deepmodeling.com/projects/dpgen" | ||
repository = "https://github.com/deepmodeling/dpgen" | ||
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[project.entry-points.console_scripts] | ||
dpgen = "dpgen.main:main" | ||
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[tool.setuptools.packages.find] | ||
include = ["dpgen*"] | ||
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[tool.setuptools_scm] | ||
write_to = "dpgen/_version.py" |