From e4495e8b0322fb6525f9ed94f45258d9cc3821d8 Mon Sep 17 00:00:00 2001
From: Han Wang <wang_han@iapcm.ac.cn>
Date: Fri, 14 Jan 2022 17:37:36 +0800
Subject: [PATCH] update setup and gitignore

---
 .gitignore |  1 +
 setup.py   | 48 ++++++++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 49 insertions(+)
 create mode 100644 setup.py

diff --git a/.gitignore b/.gitignore
index 8bb9cf96..e4ab9a95 100644
--- a/.gitignore
+++ b/.gitignore
@@ -40,3 +40,4 @@ dbconfig.json
 .vscode/*
 .idea/*
 _build
+dpgen2/_version.py
diff --git a/setup.py b/setup.py
new file mode 100644
index 00000000..15861883
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,48 @@
+# -*- coding: utf-8 -*-
+
+from os import path
+import setuptools
+
+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()
+
+# install_requires = ['xml']
+install_requires=[
+    'numpy', 
+    'dpdata',
+    # 'dflow',
+]
+
+setuptools.setup(
+    name="dpgen2",
+    use_scm_version={'write_to': 'dpgen2/_version.py'},
+    setup_requires=['setuptools_scm'],
+    author="Han Wang",
+    author_email="wang_han@iapcm.ac.cn",
+    description="Deep potential generator, version 2",
+    long_description=readme,
+    long_description_content_type="text/markdown",
+    url="https://github.com/deepmodeling/dpgen2",
+    packages=['dpgen2',
+              'dpgen2/op',
+              'dpgen2/flow',
+              'dpgen2/utils',
+              'dpgen2/fp',
+    ],
+    package_data={'dpgen2':['*.json']},
+    classifiers=[
+        "Programming Language :: Python :: 3.6",
+        "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
+    ],
+    keywords='deep potential concurrent learning',
+    install_requires=install_requires,
+    extras_require={
+        'docs': ['sphinx', 'recommonmark', 'sphinx_rtd_theme>=1.0.0rc1', 'numpydoc', 'm2r2'],
+    }
+)
+