Metadata-Version: 2.3
Name: mite_extras
Version: 1.0.1
Summary: Parsing, conversion, and validation functionality for Minimum Information about a Tailoring Enzyme (MITE) files.
Project-URL: Homepage, https://github.com/mite-standard/mite_extras
Project-URL: Issues, https://github.com/mite-standard/mite_extras/issues
Author-email: "Mitja M. Zdouc" <zdoucmm@gmail.com>, Adriano Rutz <adafede@gmail.com>
License-File: LICENSE
Keywords: cheminformatics,genomics
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.12
Requires-Dist: argparse~=1.4
Requires-Dist: coloredlogs~=15.0
Requires-Dist: jsonschema~=4.23
Requires-Dist: mite-schema~=1.4
Requires-Dist: polars~=1.4
Requires-Dist: pydantic~=2.8
Requires-Dist: rdkit~=2024.3
Requires-Dist: referencing~=0.35
Requires-Dist: requests~=2.32
Requires-Dist: staticjinja~=5.0
Provides-Extra: dev
Requires-Dist: pre-commit~=3.4; extra == 'dev'
Requires-Dist: pytest~=7.4; extra == 'dev'
Requires-Dist: ruff~=0.5; extra == 'dev'
Description-Content-Type: text/markdown

mite_extras
==========

Validation and auxiliary functionality for MITE entries.

Attention: this program has only been tested with Ubuntu Linux.

## Installation

### With `hatch` from GitHub

- Install `python 3.12.x`
- Install hatch (e.g. with `pipx install hatch`)
- Download or clone the [repository](https://github.com/mmzdouc/mite_extras)
- Run `hatch -v env create`

## Quick Start: Example

### Run with `hatch`:

To validate MITE entries or update them to a new schema version

- `hatch run mite_extras -i input/ -o output/ -fout json`

## For devs

- Install developer dependencies with `hatch -v env create dev`
- Initialize `pre-commit` with `hatch run dev:pre-commit install`
- Run tests with `hatch run dev:pytest`
- Run CLI with `hatch run dev:mite_extras` and the appropriate options
- If necessary, remove the environment again with `hatch env remove dev`