Refine installation

.gitignore

@@ -778,4 +778,7 @@ FodyWeavers.xsd
 .vscode/**
 
 # acpype cache
-*.acpype/
+*.acpype/
+
+*/_date.py
+*/_version.py

setup.py

@@ -1,22 +1,58 @@
-from setuptools import setup, find_packages
+from os import path
+import setuptools
+import datetime
+from setuptools import find_packages
+
+NAME = "dmff"
+
+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('dmff', '_date.py'), 'w') as fp:
+    fp.write('date = \'%s\'' % today)
 
 install_requires = [
     "numpy",
-    "jax_md",
+    "jax_md>=0.1.28",
     "openmm",
 ]
-setup(
-    name='dmff',
-    version='0.0.1',
-    author='dptech.net',
-    # author_email='hermite@dptech.net',
-    description=('DMFF.'),
-    url='https://github.com/deepmodeling/DMFF',
-    license=None,
-    keywords='Differentiable',
-    install_requires=install_requires,
-    packages=find_packages(),
-    zip_safe=False,
-    #packages=packages,
-    entry_points={},
-    include_package_data=True)
+
+
+def setup(scm=None):
+    packages = find_packages(exclude=["tests"])
+
+    setuptools.setup(
+        name=NAME,
+        use_scm_version=scm,
+        setup_requires=['setuptools_scm'],
+        author="DeepModeling",
+        author_email="windwhisper.yu@gmail.com",
+        description="Differentiable Molecular Force Field",
+        long_description=readme,
+        long_description_content_type="text/markdown",
+        url="https://github.com/deepmodeling/DMFF",
+        python_requires="~=3.6",
+        packages=packages,
+        data_files=[],
+        package_data={},
+        classifiers=[
+            "Programming Language :: Python :: 3.7",
+            "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
+        ],
+        keywords='DMFF',
+        install_requires=install_requires,
+        entry_points={}
+    )
+
+
+try:
+    setup(scm={'write_to': 'dmff/_version.py'})
+except:
+    setup(scm=None)