From 4419d45d2e6e1b17d8bc093b70647ab62bd6e098 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Wed, 12 Oct 2022 21:11:57 -0400
Subject: [PATCH] migrate from setup.py to pyproject.toml (#995)

Follows PEP 621.
This PR also removes the automatic `__date__` -- it only reflects the
installation date.
---
 dpgen/__init__.py |  4 ---
 pyproject.toml    | 49 +++++++++++++++++++++++++++++++
 setup.py          | 74 -----------------------------------------------
 3 files changed, 49 insertions(+), 78 deletions(-)
 create mode 100644 pyproject.toml
 delete mode 100644 setup.py

diff --git a/dpgen/__init__.py b/dpgen/__init__.py
index 1351b73fe4..e231787465 100644
--- a/dpgen/__init__.py
+++ b/dpgen/__init__.py
@@ -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():
     """
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 0000000000..5720dbc240
--- /dev/null
+++ b/pyproject.toml
@@ -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 = "wang_han@iapcm.ac.cn"},
+]
+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"
diff --git a/setup.py b/setup.py
deleted file mode 100644
index 1336b6484c..0000000000
--- a/setup.py
+++ /dev/null
@@ -1,74 +0,0 @@
-#!/usr/bin/env python
-# -*- coding: utf-8 -*-
-
-from os import path
-from  dpgen import NAME,SHORT_CMD
-import setuptools, datetime
-
-readme_file = path.join(path.dirname(path.abspath(__file__)), 'README.md')
-try:
-    from m2r import parse_from_file
-    readme = parse_from_file(readme_file)
-except ImportError:
-    with open(readme_file) as f:
-        readme = f.read()
-
-today = datetime.date.today().strftime("%b-%d-%Y")
-with open(path.join('dpgen', '_date.py'), 'w') as fp :
-    fp.write('date = \'%s\'' % today)
-
-install_requires=[
-    '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',
-]
-
-setuptools.setup(
-    name=NAME,
-    use_scm_version={'write_to': 'dpgen/_version.py'},
-    setup_requires=['setuptools_scm'],
-    author="Han Wang",
-    author_email="wang_han@iapcm.ac.cn",
-    description="DPGen: The deep potential generator",
-    long_description=readme,
-    long_description_content_type="text/markdown",
-    url="https://github.com/deepmodeling/dpgen",
-    python_requires="~=3.6",
-    packages=['dpgen', 
-              'dpgen/generator',
-              'dpgen/generator/lib',
-              'dpgen/auto_test',
-              'dpgen/auto_test/lib',
-              'dpgen/data',
-              'dpgen/data/tools',
-              'dpgen/remote',
-              'dpgen/dispatcher',
-              'dpgen/database',
-              'dpgen/tools',
-              'dpgen/simplify',
-              'dpgen/collect',
-    ],
-    # data_files = [('dpgen/tools/', ['dpgen/tools/update_time.sh', ])],
-    # package_data={'example':['*.json']},
-    classifiers=[
-        "Programming Language :: Python :: 3.6",
-        "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
-    ],
-    keywords='deep potential generator active learning deepmd-kit',
-    install_requires=install_requires,    
-        entry_points={
-          'console_scripts': [
-              SHORT_CMD+'= dpgen.main:main']
-   }
-)
-