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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools"]
build-backend = "setuptools.build_meta"
[project]
name = "dgfreg"
authors = [
{name = "Teddy Groves", email = "[email protected]"},
]
version = "0.0.1"
description = "Regression models estimating standard condition Gibbs free energy changes of biological compounds"
readme = "README.md"
requires-python = ">=3.9"
dependencies = [
"arviz",
"cmdstanpy",
"jupyter",
"numpy",
"pandas>=2.0.0",
"cobra@git+https://github.com/opencobra/cobrapy.git@devel",
"component_contribution@git+https://gitlab.com/equilibrator/component-contribution.git@c9daebf4bcf3c6fc84ccc83d1a6aa62df9d61248",
"equilibrator_api",
"pandera >= 0.17.0",
"pydantic >= 2.0.0",
"pandera",
"pyspark",
"scipy",
"scikit-learn",
"toml",
"pytest",
"black",]
[tool.setuptools]
packages = ["dgfreg"]
[tool.black]
line-length = 80
target-version = ['py38']
include = '\.pyi?$'
exclude = '''
(
/(
\.eggs # exclude a few common directories in the
| \.git # root of the project
| \.hg
| \.mypy_cache
| \.tox
| \.venv
| _build
| buck-out
| build
| dist
)/
| foo.py # also separately exclude a file named foo.py in
# the root of the project
)
'''
[tool.isort]
multi_line_output = 3
include_trailing_comma = true
force_grid_wrap = 0
use_parentheses = true
ensure_newline_before_comments = true
line_length = 80
[tool.pylint.messages_control]
disable = "C0330, C0326"
[tool.pylint.format]
max-line-length = "80"