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Installation

Requirements

  • Python ≥ 3.10
  • uv (recommended package manager)
git clone https://github.com/JesusF10/xps-data-analysis.git
cd xps-data-analysis
uv sync --group dev --group jupyter

Verify the installation:

uv run xps-analyzer --version

Using pip

git clone https://github.com/JesusF10/xps-data-analysis.git
cd xps-data-analysis
pip install -e .
pip install -e ".[docs]"   # optional: documentation dependencies

Using conda

git clone https://github.com/JesusF10/xps-data-analysis.git
cd xps-data-analysis
conda env create -f environment.yml
conda activate xps-analysis
pip install -e .

Docker

A Dockerfile is provided for containerized usage:

docker build -t xps-analyzer .
docker run --rm -v $(pwd)/data:/app/data xps-analyzer xps-analyzer analyze /app/data

Verify Installation

uv run python verify_installation.py

Dependencies

Category Packages
Core numpy ≥ 1.21, pandas ≥ 1.3, scipy ≥ 1.7, matplotlib ≥ 3.4
Analysis lmfit ≥ 1.0, scikit-learn ≥ 1.0
Validation pydantic ≥ 2.12
CLI click ≥ 8.0, tqdm ≥ 4.60
GUI streamlit ≥ 1.31
I/O openpyxl ≥ 3.1, PyYAML ≥ 6.0
Dev pytest, pytest-cov, ruff, pre-commit
Docs mkdocs-material, mkdocstrings

For detailed installation instructions, see the full INSTALLATION.md on GitHub.