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pyproject.toml
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pyproject.toml
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# Refs:
# https://packaging.python.org/en/latest/specifications/declaring-project-metadata/#example
# https://setuptools.pypa.io/en/latest/userguide/dependency_management.html#dependencies-management-in-setuptools
[build-system]
requires = ["setuptools", "setuptools-scm", "wheel"]
build-backend = "setuptools.build_meta"
[project]
name = "itwinai"
version = "0.2.2"
description = "AI and ML workflows module for scientific digital twins."
readme = "README.md"
requires-python = ">=3.10"
license = { file = "LICENSE" }
keywords = ["ml", "ai", "hpc"]
authors = [
{ name = "Matteo Bunino", email = "[email protected]" },
{ name = "Rakesh Sarma", email = "[email protected]" },
{ name = "Mario Ruettgers", email = "[email protected]" },
{ name = "Kalliopi Tsolaki", email = "[email protected]" },
]
maintainers = [
{ name = "Matteo Bunino", email = "[email protected]" },
{ name = "Rakesh Sarma", email = "[email protected]" },
{ name = "Mario Ruettgers", email = "[email protected]" },
{ name = "Kalliopi Tsolaki", email = "[email protected]" },
]
classifiers = [
"Development Status :: 4 - Beta",
"Programming Language :: Python",
]
dependencies = [
"wandb",
"mlflow",
"jsonargparse[signatures]",
"pyyaml",
"omegaconf",
"rich>=13.5.3",
"typer>=0.9.0",
"wheel",
"pydantic",
# "prov4ml@git+https://github.com/HPCI-Lab/ProvML@main", # Prov4ML
"prov4ml@git+https://github.com/matbun/ProvML@main",
"pandas",
]
# dynamic = ["version", "description"]
[project.optional-dependencies]
torch = ["lightning", "torchmetrics"]
# torch-cpu = [
# "torch==2.1.*",
# "torchvision",
# "torchaudio",
# "lightning",
# "torchmetrics",
# "deepspeed",
# ]
dev = [
"pytest>=7.4.2",
"pytest-mock>=3.11.1",
"pytest-cov>=4.1.0",
"ipykernel",
"ipython",
"tensorflow==2.16.*", # needed by tests on tensorboard
]
[project.urls]
Homepage = "https://www.intertwin.eu/"
Documentation = "https://itwinai.readthedocs.io/"
Repository = "https://github.com/interTwin-eu/itwinai"
# Changelog = "https://github.com/me/spam/blob/master/CHANGELOG.md"
[project.scripts]
itwinai = "itwinai.cli:app"
# [project.gui-scripts]
# spam-gui = "spam:main_gui"
# [project.entry-points."spam.magical"]
# tomatoes = "spam:main_tomatoes"
[tool.pytest.ini_options]
markers = [
"integration: integration tests (deselect with '-m \"not integration\"')",
"slurm: needs SLURM and HPC resources (multiple GPUs/nodes). (deselect with '-m \"not slurm\"')",
"functional: functional tests. (deselect with '-m \"not functional\"')",
"memory_heavy: high memory footprint. (deselect with '-m \"not heavy_memory\"')",
]