pyproject.toml

[build-system]
requires = ["flit_core >=2,<4"]
build-backend = "flit_core.buildapi"

[project]
module = "massdash"
name = "massdash"
version = "0.1.0"
authors = [{ name="Justin Sing", email="justincsing@gmai.com"} ]
homepage = "https://github.com/Roestlab/massdash"
description = "A visualization and data exploration platform for Data-Independent Acquisition mass spectrometry data"
readme = "README.md"
classifiers = [
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: BSD License",
    "Operating System :: OS Independent",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Chemistry",
]
requires-python = ">=3.10, <=3.12"
dependencies = [
    "bokeh>3.0",
    "click>=8.1",
    "joblib",
    "matplotlib",
    "numpy>=1.9.0",
    "pandas>=0.17",
    "plotly==5.24.1",
    "psutil",
    "pyopenms>=3.2.0",
    "scipy>=1.12.0",
    "tqdm",
    "upsetplot",
    "requests",
    "pyopenms_viz"
]

[project.optional-dependencies]

conformer= [ 'onnxruntime' ]
docs = [ 'nbsphinx', 'sphinx-copybutton', 'sphinx-rtd-theme', 'sphinx', 'ipykernel' ]
gui = [ 'streamlit>=1.30.0', 'streamlit-javascript', 'tk', 'pyautogui' ] 
testing = ["pytest", "syrupy", "tables" ]

[project.scripts]
massdash = 'massdash.main:cli'

[tool.flit.sdist]
exclude = ["tests*"]