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Install This Plugin

This guide explains how to install the AIF parser plugin in your NOMAD environment.

Prerequisites

Before installing the plugin, ensure you have:

  1. Python 3.10 or higher installed
  2. A working NOMAD installation (version 1.4.2 or higher)
  3. uv package manager installed (recommended for faster installations)

Installation Methods

To install the plugin in development mode with all dependencies:

# Clone the repository
git clone https://github.com/CRC1415/AdsorptionInformationFormat-ParserNOMAD.git aifparser
cd aifparser

# Create and activate virtual environment (optional but recommended)
python3.12 -m venv .pyenv
source .pyenv/bin/activate

# Upgrade pip
pip install --upgrade pip

# Install uv package manager
pip install uv

# Install the plugin in development mode with dev dependencies
uv pip install -e '.[dev]'

Method 2: Direct Installation from GitHub

To install directly from the GitHub repository:

# Install directly from GitHub
uv pip install git+https://github.com/CRC1415/AdsorptionInformationFormat-ParserNOMAD.git

Method 3: Using pip

If you prefer using pip directly:

# Install using pip
pip install git+https://github.com/CRC1415/AdsorptionInformationFormat-ParserNOMAD.git

Verify Installation

After installation, verify that the plugin is correctly installed:

# Check that the plugin is recognized by NOMAD
nomad --help

# Run tests to ensure everything works
python -m pytest -sv tests

Development Setup

For developers who want to contribute to the plugin:

  1. Install the development dependencies: 

    uv pip install -e '.[dev]'

  2. Run linters and formatters: 

    ruff check .
ruff format . --check

  3. Run tests with coverage: 

    uv pip install pytest-cov
python -m pytest --cov=src tests

Troubleshooting

Common Issues

  1. Permission errors: Make sure you're using the correct Python environment
  2. Missing dependencies: Ensure all dependencies are installed using uv pip install -e '.[dev]'
  3. Version conflicts: Make sure you're using compatible versions of NOMAD and Python

Contact Information

If you encounter issues during installation, please contact: