From c37c5a441c36bdfb82e049efe1f7568cb7f5f062 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 11 May 2020 22:48:29 +0200
Subject: [PATCH] Fixed gamess for STO

---
 MANIFEST.in |  2 ++
 setup.cfg   |  2 ++
 setup.py    | 46 ++++++++++++++++++++++------------------------
 3 files changed, 26 insertions(+), 24 deletions(-)
 create mode 100644 MANIFEST.in
 create mode 100644 setup.cfg

diff --git a/MANIFEST.in b/MANIFEST.in
new file mode 100644
index 0000000..1c2510d
--- /dev/null
+++ b/MANIFEST.in
@@ -0,0 +1,2 @@
+include README.md
+
diff --git a/setup.cfg b/setup.cfg
new file mode 100644
index 0000000..3bc462b
--- /dev/null
+++ b/setup.cfg
@@ -0,0 +1,2 @@
+[metadata]                                                                                    
+description-file = README.md
diff --git a/setup.py b/setup.py
index 52fea3f..e2a6320 100755
--- a/setup.py
+++ b/setup.py
@@ -24,31 +24,29 @@
 #   31062 Toulouse Cedex 4      
 #   scemama@irsamc.ups-tlse.fr 
 
+import sys                                                                                    
 
+import setuptools
 
-from distutils.core import setup
+with open("README.md", "r") as fh:
+    long_description = fh.read()
 
-"""
-- To create a source distribution, run:
-
-python setup.py sdist
-
-- To install the module, run:
-
-python setup.py install
-
-- To create an rpm distribution
-
-python setup.py bdist_rpm
-"""
-
-import os
-setup(name="resultsFile",
-      version=os.getenv("VERSION","1.0"),
-      author="Anthony Scemama",
-      author_email="scemama@irsamc.ups-tlse.fr",
-      license="gpl-license",
-      description="Module for I/O on Quantum Chemistry files.",
-      packages=["resultsFile","resultsFile.lib","resultsFile.Modules"]
-      )
+setuptools.setup(
+  name="resultsFile",
+  version='2.0',
+  author="Anthony Scemama",
+  author_email="scemama@irsamc.ups-tlse.fr",
+  description="Module for reading output files of quantum chemistry codes.",
+  long_description=long_description,
+  long_description_content_type="text/markdown",
+  url="https://gitlab.com/scemama/resultsFile",
+  download_url="https://gitlab.com/scemama/resultsFile/-/archive/v2.0/resultsFile-v2.0.tar.gz",
+  packages=setuptools.find_packages(),
+  classifiers=[
+         "Programming Language :: Python :: 3",
+         "License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)",
+         "Operating System :: POSIX :: Linux",
+     ],
+  keywords = ['quantum chemistry', 'GAMESS', 'Gaussian', 'Molpro'],
+ )