From 867b76580cb81af5d650eb54e96dbb7d781b17c0 Mon Sep 17 00:00:00 2001
From: Michele Nottoli <michele.nottoli@gmail.com>
Date: Thu, 19 Oct 2023 13:48:47 +0200
Subject: [PATCH] Added setup.py and prototype for a test.

---
 setup.py                | 15 +++++++++++++++
 tests/test_grassmann.py |  9 +++++++++
 2 files changed, 24 insertions(+)
 create mode 100644 setup.py
 create mode 100644 tests/test_grassmann.py

diff --git a/setup.py b/setup.py
new file mode 100644
index 0000000..98d9820
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,15 @@
+from setuptools import setup, find_packages
+
+setup(
+    name="grext",
+    version="0.1.0",
+    packages=find_packages(),
+    install_requires=["numpy"],
+    author="Michele Nottoli",
+    description="Tools for generating new guesses for SCF calculations.",
+    classifiers=[
+        "Programming Language :: Python :: 3",
+        "License :: OSI Approved :: MIT License",
+        "Operating System :: OS Independent",
+    ],
+)
diff --git a/tests/test_grassmann.py b/tests/test_grassmann.py
new file mode 100644
index 0000000..1fbef07
--- /dev/null
+++ b/tests/test_grassmann.py
@@ -0,0 +1,9 @@
+import os
+import sys
+import numpy as np
+
+sys.path.insert(0, os.path.abspath(os.path.join(os.path.dirname(__file__), '..')))
+import grext
+
+def test_grassmann():
+    grext.Extrapolator(10, 10, 10, 10)
-- 
GitLab