{ "cells": [ { "cell_type": "markdown", "id": "847e4a0e", "metadata": {}, "source": [ "Installation\n", "============\n", "\n", "This section gives the recommended way to install PYSCF-ITA. One can find the source code on Github https://zhaoyilin.github.io/pyscf-ita/." ] }, { "cell_type": "markdown", "id": "17ad0fa8", "metadata": {}, "source": [ "Prerequisites\n", "-------------\n", "\n", "* Prerequisties:\n", "\n", " - Python 3.6 or above\n", " - pyscf 2.3.0\n", " - numpy 1.13.1 " ] }, { "cell_type": "markdown", "id": "b3b1410e", "metadata": {}, "source": [ "Compiling from source code\n", "--------------------------\n", "\n", "* Compile from source\n", "\n", " git clone https://github.com/ZhaoYilin/pyscf-ita.git\n", " cd pyscf-ita\n", " python3 -m pip install -e .\n", "\n", "* Using pip to install python package on GitHub\n", "\n", " pip install git+https://github.com/ZhaoYilin/pyscf-ita" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3 (ipykernel)", "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": "3.9.12" } }, "nbformat": 4, "nbformat_minor": 5 }