linux操作系统安装phonopy

转自https://zhuanlan.zhihu.com/p/26894911

linux下超详细教程安装phonopy

phonopy安装：

第一步：准备文件

1. python-3.6 (https://www.python.org/downloads/source/)

2. numpy-1.11.2 (Obtaining NumPy & SciPy libraries)

3. lxml-3.6.4 (Processing XML and HTML with Python)

4. matplotlib-1.5.0 (Browse Files at SourceForge.net)

5. PyYAML-3.12 (PyYAML)

6. phonopy-1.11.0 (phonopy)

Note:前5个包也可以用yum 或 apt-get 安装

第二步：安装Python-3.6.0b3.tar.xz

$tar xvf Python-3.6.0b3.tar.xz
$cd Python-3.6
$./configure --prefix= /home/…/phonopy/Python-3.6/build 
                #在python解压目录事先新建build目录，省略部分根据每个人电脑而定
$make
$make install

设置环境变量

$vi ~/.bashrc
在.bashrc文件末尾加入：

$export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/…/phonopy/Python-3.6/build/lib
$export PATH=$PATH:/home/…/phonopy/Python-3.6/build/bin
$export PATH=/home/…/phonopy/Python-3.6:$PATH
$source ~/.bashrc

测试

命令行输入python3.6，若成功会出现（避免和系统自带/usr/bin混淆）

Python 3.6.0b3 (default, Nov 6 2016, 02:12:05)
[GCC 4.9.3] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>>