Physicists don't wear lab coats (Except for the ones that do)

Software I use

Here’s a list of some of the software tools I use most frequently for physics projects.

I don’t intend on writing tutorials for each of these tools individually. Most of these tools are very popular, and have spectacular tutorials already written for them. One thing I intend to do is to try to write about how to make them work together more smoothly with less effort.

Here’s the list:

  • Git, for version control
  • LaTeX, or another TeX variant, for typesetting
  • Mathematica, for math
  • Python, for general computing and with scipy for computations
  • Make, for automating builds and making life more magical

Git

Git, or less ideally another version control system, is the single most useful tool I’ve ever used, in any context. I assumed it was widely used, but asking around, it seems like it isn’t. I often say that things that happen outside version control don’t count. Spending a half hour learning how to use Git will save you tons of time in the future.

Version control essentially keeps track of different versions of files as you edit them. This lets you revert changes to a file if you ever make a mistake, it lets you use multiple versions of a directory (so you can try testing out some changes to some files, while leaving the original versions available if you ever need to switch back and forth). VCSs also let you intelligently merge changes, whether because you and a collaborator are working on the same file or because you happen to have two sets of changes you want to work on at the same time.

If you want to make collaboration a breeze, you can either connect to something like GitHub or Bitbucket, hosting services which let you upload your code, along with all of its version history. You can make repositories private or pubic, or even set up your ownserver if you want to collaborate but don’t want your code to leave your control. Hosting services like that are separate from using Git, and aren’t required to get the version management, but are another great part of your workflow. Here’s this blog in GitHub!

This is separate from tools like Dropbox or its competitors. Those types of services are mostly intended as ways to backup a file system. If you want to create copies of your entire Documents folder, put it on Dropbox. Git is much more about keeping track of the history of a single project, and simplifying your workflow.

The pros:

  • Git allows you to handle file history intelligently, no matter what you’re doing on your computer. If your computer use involves modifying files, Git will let you track it, share it with other computers and live a more fulfilled life.
  • Git is an incredibly popular tool, which means that it’s been optimised on every platform, and has a huge ecosystem built around it. Don’t like the command line? There are a thousand tools that let you use Git with a GUI. Have too many options? Try using more restrictive workflows.

The cons:

  • What cons?

TeX

The obnoxiously capitalised LaTeX is ubiquitous in physics, as the de facto standard way to generate documents. The best parts of TeX come from its age: TeX has had 40 years of extensions, forks and packages built for it. I use pdfTeX for actual document generation, but with latexmk as a tool to handle the actual builds. TeX is a tool of necessity; as a de facto standard, its flaws are deeply embedded. There are powerful variants like LuaTeX, but vendor lock-in can be a dangerous thing. It’s not necessarily clear what the future holds for LaTeX. The massive rewrite in progress sounds promising, but massive rewrites cause problems.

My strategy for dealing with highly fragmented ecosystems is to try to stay as vanilla as possible for the central features, so that if variants suddenly go away, your own projects don’t end up broken. Each additional dependency in a project introduces a new point of failure; for widely-used dependencies like LuaTex, the risk might be low, but for others it might be higher. The best way to mitigate that risk is to decouple it: I use latexmk for builds, but only in ways that

The pros:

  • How else are you going to typeset math?

The cons:

  • Want to include external data natively? Have fun without Lua. Edit an equation name? Don’t forget to build twice! TeX is old and brittle, and it constantly forces you to operate in the wrong abstraction layer (which is one of my least favourite things to be forced to do). Using a TeX variant for type setting involves abstractions so leaky that you could make a flavourful spring soup with them.

Mathematica

Mathematica is one of my main tools for handling math. They share a feature set, but I find that one big difference between Mathematica and a tool like Matlab is that Matlab is much more about computation, as opposed to math. For anyone who has ever wanted to skip the boring parts of a homework problem, Mathematica needs no introduction.

However, Mathematica is also one of the most fickle software platforms I’ve ever used. Mathematica uses a language designed for people who don’t use languages, and that can lead to weird syntax that can make PHP looks sane. There are even weirder design decisions, like weird variable handling in the kernel that almost seems designed to create bugs, frequent issues with accuracy of built-in functions, the hard-to-justify emphasis on .nb files, which ties backend execution to the frontend and an almost deliberate discouraging of good programing practices by typical users.

There are ways to make Mathematica work for you, but they’re often not the first thing that Mathematica suggests. We’ll find occasions to talk about Mathematica more.

The pros:

  • Mathematica is the best symbolic algebra platform out there
  • Mathematica has built-ins for nearly everything you could ever want…

The cons:

  • …except for that one particular thing you need right now
  • There are several different ways to create format strings in Mathematica. Here’s one:
    ToString@StringForm["The value of Pi is ``", NumberForm[N[Pi], 3]]
    

    If you don’t like that, try creating something with TemplateApply. Then reconsider your life choices, and switch to something like Python.

Python

Python is a good programming language for general programming. Writing programs, or even just writing simple scripts, is only going to get more useful for physicists, and using really popular languages grants access to vibrant ecosystems. Python in particular is easy to read, and is good for both scripts and whole applications.

For physics specifically, I’ve found scipy and numpy to be excellent substitutes for Matlab, with the full strength of Python available for other tasks like file I/O or creating interfaces.

The pros:

  • The full strength of a full-featured, real life programming language not designed by scientists

The cons:

  • The only real con is just taking the time to learn it. Python is very readable, though, so unlike legacy languages like COBOL it’s not a huge pain to learn.

Make

Make is a build automation tool. It’s a really old utility that lets you specify two things: which files depend on which other files, and how to create/update a file whenever it’s missing / out of date.

The great benefit of make, like all the great *nix utilities, is that it’s unbelievably flexible. It only does one thing, automating builds, but it does it ridiculously well. I mentioned in a previous post that having a one-step build was important. make is the tool that accomplishes that.

It isn’t a tool available on Windows by default, but I use Cygwin as a CLI, which gives me access to make. There are other great build automation tools out there; for projects primarily in a particular language like Python, Javascript or Java, there are specific build tools that are commonly used for those languages. I’ve found that make handles a large number of my typical use cases, so I use it fairly consistently. There are situations when being able to use the full power of something like Gradle is helpful, or so I assume, but none that I’ve ever run across in physics. If you’re connecting multiple different languages together, like trying to use Mathematica to generate figures which then get included in a document by LaTeX, make really shines.

The pros:

  • Once you have it set up properly, your life becomes much easier

The cons:

  • Setting it up on projects can be a chore; we’ll talk about how to do it though