Installation Guide

Prerequisites 

SpectroChemPy requires Python 3.10 or higher (tested up to 3.13). Python is a widely-adopted scientific programming language, particularly suited for data analysis and scientific computing.

Installing Python 

Conda Package Managers (Recommended)

We recommend using one of these package managers for installing Python and managing dependencies:

Anaconda - Full scientific distribution (~3GB)
Miniconda - Minimal distribution (~400MB)
Mamba - Fast alternative to conda
Micromamba - Minimal mamba

Installation Steps 

Download your chosen package manager
Run the installer for your platform
Open a terminal/command prompt
Verify the installation:

conda --version  # or mamba --version

Alternative Installation Methods 

Using Homebrew:

# Install Homebrew
/bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/HEAD/install.sh)"

# Install Python
brew install python

# Verify installation
python3 --version

Using Official Installer:

Download from Python.org (macOS)
Run the installer
Verify with python3 --version

Using Official Installer:

Download from Python.org (Windows)
Run installer (check “Add Python to PATH”)
Verify with python --version

Using Microsoft Store:

Search for “Python” in Microsoft Store
Install the latest version
Verify in Command Prompt

Most distributions include Python. To install a specific version:

Ubuntu/Debian:

sudo apt update
sudo apt install python3.10

Fedora:

sudo dnf install python3.10

Installing SpectroChemPy 

Create Environment 

First, create and activate a dedicated environment:

# Using conda/mamba
mamba create -n scpy python=3.10
mamba activate scpy

# OR using venv (if not using conda/mamba)
python -m venv scpy
source scpy/bin/activate  # On Windows: scpy\Scripts\activate

Install Package 

mamba install -c spectrocat spectrochempy

conda install -c spectrocat spectrochempy

python -m pip install spectrochempy

Additional Resources 

For more detailed instructions and alternative installation methods:

Installation Guide for Windows - Windows installation
Installation Guide for Mac OSX and Linux - macOS/Linux installation
Install in Google Colaboratory (Colab) - Using Google Colab
Optional Dependencies - Additional components
Installation from Sources - Installing from sources