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Makefiles for Scientists: A Guide to Automation

written by Ricky Lim on 2025-03-14

Why Scientists Should Care About Makefiles πŸ“š

A Makefile is like a lab protocol, just like a lab protocol outlines the steps to prepare a sample, a makefile lists the steps to build your project. This enables scientists to automate these steps efficiently, allowing them to focus more on the science. Much like following a protocol ensures reproducibility in an experiment, using a Makefile ensures the reproducibility of your project development process.

Here's when and when not to use Makefiles:

When to use Makefiles πŸ“

When not to use Makefiles 🚫

In summary, Makefiles are best for automating simple development tasks, while for complex data analysis tasks, consider more advanced tools.

Getting Started with Makefiles πŸš€

When you think Makefiles is the right fit for your project, let's dive in and explore how to set them up!

First get Make installed on your system.

# Debian/Ubuntu
sudo apt install make

# macOS
brew install make

# Windows
choco install make

⚠️ Please ensure proper tab indentation for the Makefile since Make requires tabs, not spaces for indentation.

🚨 Using spaces instead of tabs can lead to errors when running the Makefile, so configure your editor to use tabs for indentation.

Here's a basic template to get you started:

.DEFAULT_GOAL := help

.PHONY: deploy
deploy: test docs build ## Deploy to production
    @echo "Deploying to production..."
    # Add your deployment commands here

.PHONY: test
test: ## Run tests
    @echo "Running tests..."
    # Add your test commands here

.PHONY: docs
docs: ## Generate documentation
    @echo "Generating documentation...."
    # Add your documentation commands here

.PHONY: build
build: ## Build the project
    @echo "Building the project..."
    # Add your build commands here

.PHONY: help
help:
    @grep -E '^[a-zA-Z_-]+:.*?## .*$$' $(MAKEFILE_LIST) | sort | awk 'BEGIN {FS = ":.*?## "}; {printf "\033[36m%-16s\033[0m %s\n", $$1, $$2}'

How It Works

$ make
build            Build the project
deploy           Deploy to production
docs             Generate documentation
test             Run tests

Key Takeaways

Makefiles are an underrated gem in the scientific world, offering powerful automation capabilities that take care of the boring tasks πŸ€–, while ensuring efficiency and reproducibility of your development process.

By automating the boring, Makefiles let you focus on what matters mostβ€”the science itself πŸ”¬.