第一原理分子動力学プログラム STATE Senri Wiki

Mac setup †

Below I describe how to setup my Mac (what I do when I setup a new Macintosh).

Initialization †

After backing up the data using TimeMachine or alike, initialize the data by starting with the safe boot mode (press command+r when startup your Mac), we initialize Mac, and reinstall OS (and then update).

Microsoft Office †

Login to My Handai site (https://my.osaka-u.ac.jp) using your Osaka University ID, find "Other service" and "Microsoft software. Download Office 2019 for Mac and install.
NOTE: "My Handai" is available only in Japanese, and please ask your colleagues who understand Japanese. Note also the short-term students are NOT allowed to download and install MS softwares provided through "my handai" site. Please ask your supervisor to install on behalf.

XCode †

Install from AppleStore (may take an hour or so).

Homebrew †

Use Homebrew to install commands necessary for the research. Follow the description in the Homebrew webpage and execute the following on your terminal as:

/usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"

(check the command in the original webpage)
After finishing Homebrew, install the following commands (at least) as:

• XQuartz

  $ brew cask install xquartz

• gcc

  $ brew install gcc

• open-mpi

  $ brew install open-mpi

• gnuplot

  $ brew install gnuplot

• xmgrace (grace)

  $ brew install grace

• LaTeX
  Download MacTeX.pkg from this page and install it.
• TeXworks
  In case you want use TeXworks to edit LaTeX files, type

  $ brew cask install texworks

• Python3
  Search package by issuing

  $ brew search python3

  and follow the instruction.
• VESTA
  Download from the VESTA webpage, unpack the package and move the "VESTA" folder to the Application folder
• VMD (useful to visualize the trajectory)
  Download from the offical site. Registration required.