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[build-system]
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requires = ["hatchling"]
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build-backend = "hatchling.build"
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[project]
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name = "grogu_magn"
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version = "0.0.3"
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authors = [
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{ name="Daniel Pozsar", email="danielpozsar@student.elte.hu" },
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{ name="Laszlo Oroszlany", email="laszlo.oroszlany@ttk.elte.hu" },
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]
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description = "Relativistic magnetic interactions from non-orthogonal basis sets"
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readme = "README.md"
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kewords = [
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"DFT",
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"physics",
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"grogu",
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"magnetic interactions",
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]
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requires-python = ">=3.9"
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dependencies = [
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"numpy==1.24.4",
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"scipy",
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"sisl==0.14.3",
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"netcdf4==1.6.2",
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"openmpi",
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"mpi4py",
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]
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classifiers = [
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"Development Status :: 3 - Alpha",
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"Programming Language :: Python",
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"Programming Language :: Python :: 3.9",
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"Programming Language :: Python :: 3 :: Only",
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"Topic :: Scientific/Engineering :: Physics",
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"License :: OSI Approved :: MIT License",
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"Operating System :: OS Independent",
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]
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[project.scripts]
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grogu = "grogu:main"
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[project.urls]
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Homepage = "https://gitea.vo.elte.hu/et209d/grogu"
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Documentation = "https://gitea.vo.elte.hu/et209d/grogu"
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Repository = "https://gitea.vo.elte.hu/et209d/grogu"
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Issues = "https://gitea.vo.elte.hu/et209d/grogu"
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[tool.pytest.ini_options]
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pythonpath = [
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"src/grogu_magn/"
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]
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addopts = [
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"--import-mode=importlib",
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# "--cov",
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"--doctest-modules",
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]
|
