CF-Random PyPi Package

[prameshsharma25]

CF-Random: Convert to Installable Python Package

Summary

Converts CF-Random from a collection of ad-hoc scripts into a properly structured, pip-installable Python package following PEP 517/518 standards. This makes the tool significantly easier to install, use as a library, and distribute to the broader scientific community.

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Motivation

Previously, using CF-Random required manual path management and script-level execution with no standard installation procedure. This PR removes that friction by:

• Enabling single-command installation: pip install .
• Exposing CF-Random as an importable library (import cf_random)
• Providing a cf-random CLI entry point for command-line workflows
• Centralizing all dependencies for reproducible environments
• Laying the groundwork for future PyPI distribution (pip install cf-random)

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Changes

New files

File	Purpose
pyproject.toml	PEP 517/518 build config, package metadata, dependencies, entry points
setup.py	Backward-compatible setup script
cf_random/__init__.py	Package initialisation and version info
cf_random/main.py	Wrapper module bridging existing prediction logic
cf_random/cli.py	Argparse-based CLI entry point (cf-random)
INSTALL.md	End-user installation guide
.gitignore	Python and project-specific ignore patterns

All existing classes (TMScoreCalAllVarFS, BaseTMScore, ConvertM2S, TMScoreFSMulti, MSAVariableMultimer, etc.) are unchanged. The packaging layer wraps them without modifying behavior.

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Installation

# Standard install
pip install .

# Editable install for development
pip install -e .

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Usage

CLI

# Show all options
cf-random --help

As a library

import cf_random

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Testing

All existing pytest tests pass after restructuring. Import paths updated to reflect the new cf_random.* namespace.

pytest tests/ -v

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Notes

• Future PyPI publishing can proceed directly from this structure with no further packaging changes