easypqp/pyproject.toml at master · grosenberger/easypqp · GitHub

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[build-system]
requires = ["setuptools>=64.0.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "easypqp"
version = "0.1.58"
description = "EasyPQP: Simple library generation for OpenSWATH"
readme = "README.md"
requires-python = ">=3.9"
authors = [
  { name = "George Rosenberger", email = "gr2578@cumc.columbia.edu" },
]
license = "BSD-3-Clause"
# Core dependencies required for basic EasyPQP functionality
dependencies = [
  "numba",
  "Click>=8.0.0",
  "numpy==1.26.4",
  "scipy",
  "scikit-learn",
  "statsmodels",
  "pandas>=1.5.0",
  "biopython",
  "pyopenms>=3.3.0",
  "matplotlib>=3.5.1",
  "seaborn",
  "tqdm",
]

[project.urls]
Homepage = "https://github.com/grosenberger/easypqp"

[project.scripts]
easypqp = "easypqp.main:cli"

[project.optional-dependencies]

# PyProphet integration
# Install with: pip install easypqp[pyprophet]
pyprophet = ["pyprophet"]

# Rust backend for in-silico library generation
# Install with: pip install easypqp[rust]
rust = ["easypqp-rs>=0.1.7"]

# All optional features
# Install with: pip install easypqp[all]
all = [
  "pyprophet",
  "easypqp-rs>=0.1.7"
]

[tool.setuptools]
include-package-data = true

[tool.setuptools.packages.find]
where = ["."]
include = ["easypqp*"]

[tool.setuptools.package-data]
easypqp = ["data/unimod.xml"]