93 lines
1.8 KiB
TOML
93 lines
1.8 KiB
TOML
[build-system]
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build-backend = "uv_build"
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requires = [
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"uv_build>=0.9.0,<0.10.0",
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]
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[project]
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name = "pmsco"
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version = "4.2.0"
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description = "PSI Multiple Scattering Cluster Optimization"
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classifiers = ["Private :: Do Not Upload"]
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authors = [
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{ name = "Matthias Muntwiler", email = "matthias.muntwiler@psi.ch" },
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{ name = "Frederik Schirdewahn", email = "frederik.schirdewahn@psi.ch" },
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]
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maintainers = [
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{ name = "Matthias Muntwiler", email = "matthias.muntwiler@psi.ch" },
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]
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license = "Apache-2.0"
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license-files = ["LICEN[CS]E*", "NOTICE*"]
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requires-python = ">=3.10, <3.14"
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dependencies = [
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"ase",
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"fasteners",
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"future",
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"h5py",
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"ipython",
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"ipykernel",
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"jsonschema",
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"matplotlib",
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"mpi4py",
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"networkx",
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"numpy >= 1.22, < 2",
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"periodictable",
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"scikit-learn",
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"scipy",
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"sqlalchemy == 1.4",
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"statsmodels",
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"edac",
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"loess",
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"phagen",
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]
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readme = "README.md"
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[project.optional-dependencies]
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boss = [
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"aalto-boss",
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]
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[project.scripts]
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pmsco = "pmsco.pmsco:main"
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[dependency-groups]
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dev = [
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"gitpython",
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"mock",
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"pynose",
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"ruff>=0.14.10",
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]
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[tool.uv]
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required-version = ">=0.9.0"
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[tool.uv.sources]
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edac = { workspace = true, editable = false }
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loess = { workspace = true, editable = false }
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phagen = { workspace = true, editable = false }
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[tool.uv.workspace]
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members = [
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"subprojects/edac",
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"subprojects/loess",
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"subprojects/phagen",
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]
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[tool.uv.build-backend]
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module-name = "pmsco"
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module-root = ""
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namespace = true
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[tool.ruff.lint]
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# ignore the following violations:
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# E26 - block comment
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# E4 - import not at top
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# E5 - long lines
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# E741 - l variables
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# F401 - unused import
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# F841 - unused local variable
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# W2 - trailing whitespace
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# https://docs.astral.sh/ruff/rules/
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select = ["E", "F", "W"]
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ignore = ["E26","E4","E5","E741","F401","F841","W2"]
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