pyproject.toml

[build-system]
requires = ["jinja2", "pandas", "pyyaml", "setuptools", "versioneer[toml]==0.29"]
build-backend = "setuptools.build_meta"

[project]
name = "pysqa"
description = "Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation."
authors = [
    { name = "Jan Janssen", email = "janssen@mpie.de" },
]
readme = "README.md"
license = { file = "LICENSE" }
keywords = ["pyiron"]
requires-python = ">=3.8"
classifiers = [
    "Development Status :: 5 - Production/Stable",
    "Topic :: Scientific/Engineering :: Physics",
    "License :: OSI Approved :: BSD License",
    "Intended Audience :: Science/Research",
    "Operating System :: OS Independent",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
]
dependencies = [
    "jinja2==3.1.2",
    "pandas==2.1.4",
    "pyyaml==6.0.1",
]
dynamic = ["version"]

[project.urls]
Homepage = "https://github.com/pyiron/pysqa"
Documentation = "https://pysqa.readthedocs.io"
Repository = "https://github.com/pyiron/pysqa"

[project.optional-dependencies]
sge = ["defusedxml==0.7.1"]
remote = [
    "paramiko==3.3.1",
    "tqdm==4.66.1",
]
executor = [
    "pympipool==0.7.9",
    "cloudpickle==3.0.0",
]

[project.scripts]
pysqa = "pysqa.cmd:command_line"
pysqa-executor = "pysqa.executor.backend:command_line"

[tool.setuptools.packages.find]
include = ["pysqa*"]

[tool.setuptools.dynamic]
version = {attr = "pysqa.__version__"}

[tool.versioneer]
VCS = "git"
style = "pep440-pre"
versionfile_source = "pysqa/_version.py"
parentdir_prefix = "pysqa"
tag_prefix = "pysqa-"