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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools>=45", "wheel"]
build-backend = "setuptools.build_meta"
[project]
name = "haddock3"
version = "2024.10.0b7"
description = "HADDOCK3"
readme = "README.md"
authors = [{ name = "BonvinLab", email = "[email protected]" }]
license = { text = "Apache License 2.0" }
classifiers = [
"Development Status :: 4 - Beta",
"License :: OSI Approved :: Apache Software License",
"Natural Language :: English",
"Operating System :: POSIX",
"Operating System :: POSIX :: Linux",
"Operating System :: MacOS",
"Intended Audience :: Science/Research",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Physics",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
]
keywords = [
"Structural Biology",
"Biochemistry",
"Docking",
"Protein docking",
"Proteins",
]
requires-python = ">=3.9, <3.13"
dependencies = [
'pdb-tools>=2.5.0',
'biopython==1.*',
'jsonpickle>=2.1.0',
'numpy==2.*',
'pyyaml>=6.0',
'scipy>=1.10.0',
'toml>=0.10.2',
'pandas==2.*',
'plotly==5.24.1',
'freesasa>=2.2.1',
]
[project.optional-dependencies]
dev = [
"coverage==7.6.7",
"pytest==8.3.3",
"pytest-cov==6.0.0",
"hypothesis==6.119.3",
"pytest-mock==3.14.0",
"fastapi==0.115.5",
"httpx==0.27.2",
"mpi4py==4.0.1",
"kaleido==0.4.1",
"pytest-random-order==1.1.1",
]
docs = [
"sphinx>=7",
"sphinx-argparse>=0.4.0",
"sphinx_rtd_theme>=3.0.1",
"CommonMark>=0.9.1",
"mock>=5.1.0",
"myst-parser>=3.0.1",
]
[project.urls]
Homepage = "https://github.com/haddocking/haddock3"
Documentation = "https://github.com/haddocking/haddock3#readme"
"Issue Tracker" = "https://github.com/haddocking/haddock3/issues"
"Discussion Forum" = "https://github.com/haddocking/haddock3/issues"
[project.scripts]
haddock3 = "haddock.clis.cli:maincli"
haddock3-mpitask = "haddock.clis.cli_mpi:maincli"
haddock3-cfg = "haddock.clis.cli_cfg:maincli"
haddock3-clean = "haddock.clis.cli_clean:maincli"
haddock3-copy = "haddock.clis.cli_cp:maincli"
haddock3-dmn = "haddock.clis.cli_dmn:maincli"
haddock3-pp = "haddock.clis.cli_pp:maincli"
haddock3-score = "haddock.clis.cli_score:maincli"
haddock3-unpack = "haddock.clis.cli_unpack:maincli"
haddock3-analyse = "haddock.clis.cli_analyse:maincli"
haddock3-traceback = "haddock.clis.cli_traceback:maincli"
haddock3-re = "haddock.clis.cli_re:maincli"
haddock3-restraints = "haddock.clis.cli_restraints:maincli"
[tool.setuptools]
packages = ["haddock"]
package-dir = { "" = "src" }
include-package-data = true
[tool.setuptools.package-data]
haddock = ["bin/*"]