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97 lines (89 loc) · 2.61 KB
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[tool.poetry]
name = "pyambit"
version = "0.0.2"
description = "Python implementation of AMBIT data model"
license = "MIT"
authors = [
"Nina Jeliazkova <jeliazkova.nina@gmail.com>",
]
maintainers = [
"Luchesar Iliev <luchesar.iliev@gmail.com>",
"Vedrin Jeliazkov <vedrin.jeliazkov@gmail.com>",
]
readme = "README.md"
homepage = "https://ambit.sourceforge.net"
repository = "https://github.com/ideaconsult/pyambit"
keywords = [
"ambit",
"cheminformatics",
"enanomapper",
"nanoinformatics",
]
classifiers = [
"Development Status :: 3 - Alpha",
"Intended Audience :: Developers",
"Intended Audience :: Education",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3",
"Programming Language :: Python",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering",
"Topic :: Software Development :: Libraries :: Python Modules",
"Topic :: Software Development :: Libraries",
]
# Ship the generated per-category study config (used by study_config.py) in built artifacts.
include = [
{ path = "src/pyambit/resources/study_config.json", format = ["sdist", "wheel"] },
]
[tool.poetry.dependencies]
python = ">=3.10,<3.14"
nexusformat = ">=1.0.6,<3.0.0"
pydantic = "^2.0"
pandas = "^2.2.2"
pytest = "^8.3.4"
seaborn = "^0.13.2"
numpy = ">=1.26"
measurement = "^3.2.2"
# nexus_plot.py reads written .nxs files array-by-array via h5py (the
# Nexus2Ambit index_only path returns link placeholders, not data) and
# renders inline figures with matplotlib (already pulled in by seaborn).
h5py = ">=3.8"
[tool.poetry.group.dev.dependencies]
pytest = ">8.3.2"
pytest-cov = ">5.0.0"
pre-commit = ">3.8.0"
# Dev/test-only tooling for regenerating pyambit/nexus_models/ from NeXus
# application-definition (.nxdl.xml) files. Never a runtime dependency of pyambit
# itself - see dev-tools/gen_nexus_models.py.
#
# NOTE: the NXDL application-definition tree parser this codegen relies on moved
# from pynxtools.dataconverter.nexus_tree to pynxtools.nexus.nexus_tree in 0.15.0.
[tool.poetry.group.nexus-codegen.dependencies]
pynxtools = ">=0.11.0"
lxml = ">=5.0.0"
[tool.pytest.ini_options]
minversion = "8.0"
addopts = "-ra -q"
pythonpath = [
"src",
]
filterwarnings = [
"error", # treat all warnings as errors
"ignore:.*custom tp_new.*in Python 3.14.*:DeprecationWarning",
]
[tool.coverage.run]
relative_files = true
source = [
"pyambit",
"tests",
]
[tool.coverage.paths]
source = [
"src",
"*/site-packages",
]
[build-system]
requires = ["poetry-core"]
build-backend = "poetry.core.masonry.api"