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README.md

Scripts

Workflow orchestration scripts and utilities for METAINFORMANT.

Design Philosophy

Scripts are thin wrappers around src/metainformant/ modules:

  • Business logic resides in source modules
  • Scripts handle CLI, configuration, and orchestration
  • All outputs go to output/ directory

Directory Structure

scripts/
 cloud/           # Cloud deployment and sync utilities
 core/            # Core utility scripts
 dna/             # DNA analysis workflows
 ecology/         # Ecology analysis scripts
 epigenome/       # Epigenome analysis scripts
 eqtl/            # eQTL analysis scripts
 gwas/            # GWAS pipeline scripts
 life_events/     # Life events analysis workflows
 maintenance/     # Refactoring, import fixes, code generation
 math/            # Mathematical biology scripts
 menu/            # Interactive menu system
 ml/              # Machine learning scripts
 multiomics/      # Multi-omics integration
 networks/        # Network analysis scripts
 ontology/        # Ontology analysis
 package/         # Package management (setup, test, build)
 phenotype/       # Phenotype analysis
 popgen/          # Population genetics scripts
 protein/         # Protein analysis scripts
 quality/         # Auditing, linting, export checks
 reorganize/      # Import rewriting and migration
 rna/             # RNA-seq workflow orchestration
 simulation/      # Simulation scripts for all modules
 singlecell/      # Single-cell analysis
 test_examples/   # Example testing, validation, benchmarking
 validate/        # Project completeness audits
 visualization/   # Batch plotting utilities

Key Scripts

Package Management (package/)

# Setup environment
bash scripts/package/setup.sh

# Run tests
bash scripts/package/test.sh
bash scripts/package/test.sh --mode coverage
bash scripts/package/test.sh --mode network

# Code quality
bash scripts/package/uv_quality.sh         # All checks
bash scripts/package/uv_quality.sh format  # Black only
bash scripts/package/uv_quality.sh lint    # Linting only

# Build
bash scripts/package/build.sh
bash scripts/package/validate_build.sh

RNA Workflows (rna/)

# List available amalgkit workflow configs
uv run python scripts/rna/run_workflow.py --list-configs

# Check workflow status
uv run python scripts/rna/run_workflow.py --config config/amalgkit/amalgkit_pogonomyrmex_barbatus.yaml --status

# Discover new species
uv run python scripts/rna/discover_species.py --species "Apis_mellifera"

# Validate amalgkit species configs
uv run python scripts/rna/validate_configs.py

GWAS Workflows (gwas/)

# Run GWAS pipeline
uv run python scripts/gwas/run_amellifera_gwas.py --config config/gwas/gwas_amellifera.yaml --output output/gwas/amellifera

# Generate all visualizations
uv run python scripts/gwas/visualization/visualizations.py --help

Quality & Auditing (quality/)

# Audit documentation presence
uv run python scripts/quality/audit_docs.py

# Check export completeness
uv run python scripts/quality/check_exports.py

# Audit docstring coverage
uv run python scripts/quality/audit_docstrings.py

Example Testing (test_examples/)

# Validate examples
uv run python scripts/test_examples/validate_examples.py --fast

# Fast validation (pre-commit)
uv run python scripts/test_examples/validate_examples.py --fast

# Benchmark examples
uv run python scripts/test_examples/benchmark_examples.py

Visualization (visualization/)

# Generate batch plots
uv run python scripts/visualization/run_visualization.py --input data/matrix.csv --plot-type heatmap --output output/plots --dry-run

Script Pattern

All scripts follow this pattern:

#!/usr/bin/env python3
"""Script description.

Usage:
    python3 scripts/<domain>/script.py --config config.yaml
"""
import argparse
from pathlib import Path

from metainformant.<domain> import module

def main():
    parser = argparse.ArgumentParser(description=__doc__)
    parser.add_argument("--config", required=True, help="Config file")
    parser.add_argument("--output", default="output/", help="Output directory")
    args = parser.parse_args()

    # Load config
    config = module.load_config(args.config)

    # Run workflow
    results = module.run_workflow(config)

    # Save results
    output_dir = Path(args.output)
    output_dir.mkdir(parents=True, exist_ok=True)
    module.save_results(results, output_dir)

if __name__ == "__main__":
    main()

Common Utilities (_common.sh)

Shared bash utilities for scripts:

source scripts/package/_common.sh

# Available functions
setup_environment    # Setup Python/UV environment
check_uv            # Verify UV is installed
sync_dependencies   # Sync from pyproject.toml
print_status        # Colored status messages

Environment Variables

Scripts respect these environment variables:

Variable Purpose Default
METAINFORMANT_THREADS Parallel threads 8
METAINFORMANT_OUTPUT Output directory output/
TMPDIR Temp directory .tmp/
AK_* RNA config overrides -
GWAS_* GWAS config overrides -

Output Structure

All scripts write to output/:

output/
 amalgkit/<species>/ # RNA workflow outputs
 gwas/<species>/ # GWAS outputs
 visualization/ # Generated plots
 logs/ # Script logs
 ...

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