Setting up Python on a Unix machine (with pyenv and direnv)

This post is about how to set up multiple Python versions and environments on a development machine (and why I don’t use conda).

If you need only a single version each of Python 2 and Python 3 then this approach may be overkill, even if you’re planning to make lots of virtual environments. In that situation, a simpler setup with a couple of shell aliases will do, although you might be interested in direnv, which you can use to activate and deactivate virtual environments automatically.

And if you’re comfortable working in containers (or other quickly created/destroyed virtual machines) all the time, you can skip all this entirely.

But the approach described below works well for me on a single Unix machine.

Install pyenv

pyenv allows you to compile and work with multiple versions of Python on a single machine.

Note: pyenv is a tool for managing multiple versions of Python interpreters. pyvenv is a (now-deprecated) command line tool distributed with Python to create virtual environements (synonymous with typing python -m venv)

On macOS you can install pyenv with

brew install pyenv

but a git clone will work on all systems

git clone https://github.com/pyenv/pyenv.git ~/.pyenv

Then add the following command to your shell startup to add pyenv’s functionality to your shell.

eval "$(pyenv init -)"

Note: if you cloned pyenv into a path that is not in your shell $PATH, you’ll need to add it, e.g.

export PATH=~/.pyenv/bin:$PATH

Install a C compiler and libraries

pyenv compiles python, which means you need a C compiler and various libraries. You may already have them, but if not, on macOS, do

xcode-select --install

On Ubuntu do

sudo apt-get install -y \
    make \
    build-essential \
    libssl-dev \
    zlib1g-dev \
    libbz2-dev \
    libreadline-dev \
    libsqlite3-dev \
    wget \
    curl \
    llvm \
    libncurses5-dev \
    libncursesw5-dev \
    xz-utils \
    tk-dev

Use pyenv to install some python versions

You’re now ready to install Python versions. e.g.

pyenv install 2.7.13
pyenv install 3.5.3  
pyenv install 3.6.2

These install the official python.org builds of the corresponding version. You can get a full list of the versions pyenv knows how to install by running

pyenv install --list

Set pyenv preferences

Very occasionally, you may find yourself working outside a virtual environment. In that case you can interact with pyenv directly to choose which version you want to use.

This command sets the pyenv version that will be used by default if you type python

pyenv global 3.6.1

To override the global setting automatically when you enter a specific directory do, e.g.

cd ~/oldpython2project
pyenv local 2.7.13

To override the global preference for a single shell session do

pyenv shell 3.5.3

Set up virtual environments

Generally speaking, except when a new Python version is released, you should be directly using pyenv very rarely.

Instead you should be creating (and destroying) virtual environments.

To work in this way, first make sure the packaging basics are up to date for each pyenv version you’ve installed:

for v in $(pyenv versions --bare) ; do
    pyenv shell $v 
    pyenv which python
    python -m pip install --upgrade pip virtualenv wheel
done

Then create a file ~/.pip/pip.conf containing

[global]
require-virtualenv = true

This ensures that you don’t accidentally pip install anything outside a virtual environment.

Now, create a virtual environment. First temporarily activate the pyenv version corresponding to the Python interpreter you want to use for this virtual env, then create the environment itself

pyenv shell 3.6.1
python -m venv path/to/virtual/environment

Use direnv to manage virtualenv creation and activation

I use direnv to manage the creation, activation and deactivation of virtual environments.

First, install direnv and add it to your shell. If you’re using bash on macOS, that might look like this

brew install direnv
echo 'eval "$(direnv hook bash)"' >> ~/.bashrc

Then you need to tell direnv about pyenv by putting this in ~/.direnvrc

use_python() {
    local python_root=$HOME/.pyenv/versions/$1
    load_prefix "$python_root"
    layout_python "$python_root/bin/python"
}

Now you’re all set. For example, if you create a file ~/project/.envrc that says simply

use python 3.6.1

the first time you cd into ~/project you will be prompted to type direnv allow (a security feature) then direnv will create and activate a virtual environment using the interpreter version specified in .envrc.

Going forward, direnv will automatically activate this environment when you enter the project directory, and deactivate it when you leave.

If you use tmux, alias the tmux command so the clever things tmux and direnv both do to your environment don’t conflict. E.g. on bash

alias tmux="direnv exec / tmux"

Environment variables with direnv

You can also use direnv to set and unset environment variables on entering and exiting a directory. You can either put these variables directly in ~/project/.envrc

export $PROJECT_ENV_VARIABLE=foo

or, if they are defined in another file, add

dotenv environment-variables

to ~/.project/.envrc.

Why not use conda?

Conda allows you to specify not only the packages associated with a project (as requirements.txt does), but also the Python interpreter version. In that sense, it’s more powerful system than virtual environments. And it can make life easier is you’re stuck in Windows and need compiled libraries such as numpy or dask.

So why go to all the trouble above? Why not just use conda?

YMMV. I know a lot of very happy and very sophisticated conda users in the data science community. But here’s my take.

The goal when defining an environment is to share it with other users or other systems. “Other users” might be future you, or it might be a data scientist, a person in the audience of a talk, a software engineer, or a devops engineer. “Other systems” might be a continuous integration server, a container, a serverless application platform, or a production server.

Simply put, for my definition of “other users or systems”, conda is a non-standard tool, and using it creates social and pedagogical friction. It wrote more about this in a comment on Jake vanderPlas’s blog. The ability to specify the Python interpreter in the equivalent of requirements.txt is not worth the friction.