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pyproject.toml
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pyproject.toml
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[project]
name = "cryo_EMBER"
authors = [
{name = "David Silva Sanchez", email = "[email protected]"},
{name = "Erik Henning Thiede"},
{name = "Wai Shing Tang"},
{name = "Pilar Cossio"},
]
description = "Cryo-EMBER implementation using the cryojax library"
readme = "README.rst"
requires-python = ">=3.7"
keywords = ["CryoEM", "Molecular Dynamics", "single particle"]
license = {text = "MIT"}
classifiers = [
"Programming Language :: Python :: 3",
]
dependencies = [
"numpy",
"jax[cpu]",
"matplotlib",
"mrcfile",
"MDAnalysis",
]
dynamic = ["version"]
[tool.setuptools.packages.find]
where = ["."]
include = ["cryo_ember*"]
[project.optional-dependencies]
pdf = ["ReportLab>=1.2", "RXP"]
rest = ["docutils>=0.3", "pack ==1.1, ==1.3"]
[project.scripts]
my-script = "my_package.module:function"
# ... other project metadata fields as specified in:
# https://packaging.python.org/en/latest/specifications/declaring-project-metadata/