update setup; test

include=["qiskit_algorithms"]

README.md

@@ -1,20 +1,18 @@
-# Quantum-Simulation-Recipe
-
+# Quantum Simulation Recipes
 <!-- ![Figure](./figs/idea.png) -->
-
+This python package contains ingredients for quantum simulation, such as the Hamiltonians and algorithm primitives.
+[![License](https://img.shields.io/github/license/qiskit-community/qiskit-algorithms.svg?style=popout-square)](https://opensource.org/licenses/Apache-2.0)
 
 ## Usage 
-<!-- - Create python environment `conda create --name myenv python=3.10`
-- Install requirements `pip install -r ./code/requirements.txt` -->
-```
-# Create python environment
-conda create --name myenv python=3.10 
-
-# Install requirements
-pip install -r ./code/requirements.txt 
+```bash
+conda create --name qsenv python=3.10 
+pip install quantum-simulation-recipe
 ```
 
 <!-- ### Requirements
 - qiskit version == 
 - openfermion
-- python (version = 3.10), numpy, scipy, matplotlib, jax -->
+- python (version = 3.10), numpy, scipy, matplotlib, jax -->
+
+## Examples
+https://github.com/Jue-Xu/Quantum-Simulation-Recipe/tree/main/tests/test.ipynb

requirements.txt

@@ -5,4 +5,4 @@ openfermion==1.5.1
 openfermionpyscf==0.5
 pandas==2.2.2
 qiskit==1.0.2
-scipy==1.14.0
+scipy==1.12.0

setup.py

@@ -36,12 +36,14 @@
     long_description=long_description,
     long_description_content_type="text/markdown",
     url="https://github.com/Jue-Xu/quantum-simulation-recipe",
-    packages=setuptools.find_packages(),
+    packages=setuptools.find_packages(include=["quantum_simulation_recipe"]),
     # package_data={"cf_remote": ["VERSION"]},
     # include_package_data=True,
+    license="Apache-2.0",
     classifiers=[
         "Programming Language :: Python :: 3",
-        "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
+        "License :: OSI Approved :: Apache Software License",
+        # "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
         "Operating System :: OS Independent",
     ],
     python_requires=">=3.10",
@@ -52,7 +54,7 @@
         "openfermion >= 1.5.1",
         "openfermionpyscf >= 0.5",
         "matplotlib >= 3.8.2",
-        "scipy >= 1.14.0",
+        "scipy >= 1.12.0",
         "numpy >= 1.23.5",
         "pandas >= 2.2.2",
     ],

tests/test.ipynb

@@ -0,0 +1,69 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "e385a43f",
+   "metadata": {},
+   "source": [
+    "# Test"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "id": "8c03d3e4",
+   "metadata": {},
+   "outputs": [
+    {
+     "ename": "ModuleNotFoundError",
+     "evalue": "No module named 'quantum-simulation-recipe'",
+     "output_type": "error",
+     "traceback": [
+      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
+      "\u001b[0;31mModuleNotFoundError\u001b[0m                       Traceback (most recent call last)",
+      "Cell \u001b[0;32mIn[10], line 2\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mimportlib\u001b[39;00m  \n\u001b[0;32m----> 2\u001b[0m qsr \u001b[38;5;241m=\u001b[39m \u001b[43mimportlib\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mimport_module\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mquantum-simulation-recipe\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m\n\u001b[1;32m      4\u001b[0m \u001b[38;5;66;03m# from jupyter_book import *\u001b[39;00m\n\u001b[1;32m      5\u001b[0m \u001b[38;5;66;03m# from quantum_simulation_recipe import *\u001b[39;00m\n\u001b[1;32m      6\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mqiskit_algorithms\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;241m*\u001b[39m\n",
+      "File \u001b[0;32m/opt/homebrew/Caskroom/miniforge/base/lib/python3.10/importlib/__init__.py:126\u001b[0m, in \u001b[0;36mimport_module\u001b[0;34m(name, package)\u001b[0m\n\u001b[1;32m    124\u001b[0m             \u001b[38;5;28;01mbreak\u001b[39;00m\n\u001b[1;32m    125\u001b[0m         level \u001b[38;5;241m+\u001b[39m\u001b[38;5;241m=\u001b[39m \u001b[38;5;241m1\u001b[39m\n\u001b[0;32m--> 126\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43m_bootstrap\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_gcd_import\u001b[49m\u001b[43m(\u001b[49m\u001b[43mname\u001b[49m\u001b[43m[\u001b[49m\u001b[43mlevel\u001b[49m\u001b[43m:\u001b[49m\u001b[43m]\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mpackage\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mlevel\u001b[49m\u001b[43m)\u001b[49m\n",
+      "File \u001b[0;32m<frozen importlib._bootstrap>:1050\u001b[0m, in \u001b[0;36m_gcd_import\u001b[0;34m(name, package, level)\u001b[0m\n",
+      "File \u001b[0;32m<frozen importlib._bootstrap>:1027\u001b[0m, in \u001b[0;36m_find_and_load\u001b[0;34m(name, import_)\u001b[0m\n",
+      "File \u001b[0;32m<frozen importlib._bootstrap>:1004\u001b[0m, in \u001b[0;36m_find_and_load_unlocked\u001b[0;34m(name, import_)\u001b[0m\n",
+      "\u001b[0;31mModuleNotFoundError\u001b[0m: No module named 'quantum-simulation-recipe'"
+     ]
+    }
+   ],
+   "source": [
+    "import importlib  \n",
+    "qsr = importlib.import_module(\"quantum-simulation-recipe\")\n",
+    "\n",
+    "# from jupyter_book import *\n",
+    "from quantum_simulation_recipe import *\n",
+    "from qiskit_algorithms import *"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3.8.8 ('base')",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.14"
+  },
+  "vscode": {
+   "interpreter": {
+    "hash": "4e8ef2f9fcac0817bca9a7ca376f64f20b4df5ea3bf7af756a50bda7d3557ea6"
+   }
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}

tests/test.py

@@ -0,0 +1 @@
+from quantum_simulation_recipe import *