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Remove explicit declare of package-data #4018

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e840571
remove package-data section
DanielYang59 Aug 26, 2024
43fe42d
WIP: fix some reason files listed in exclude-package-data is still in…
DanielYang59 Aug 26, 2024
06f9836
Merge branch 'master' into package-data
DanielYang59 Aug 28, 2024
e868a89
Merge branch 'master' into package-data
DanielYang59 Aug 30, 2024
b68f5af
Merge branch 'master' into package-data
DanielYang59 Aug 30, 2024
694ccc6
Merge branch 'master' into package-data
DanielYang59 Sep 2, 2024
68f4960
Merge branch 'master' into package-data
DanielYang59 Sep 6, 2024
634e7c8
Merge branch 'master' into package-data
DanielYang59 Sep 7, 2024
967952c
update omitted files for coverage
DanielYang59 Sep 7, 2024
c8a3a50
include everything for now
DanielYang59 Sep 7, 2024
5414ca5
Merge branch 'master' into package-data
DanielYang59 Sep 8, 2024
fca74fe
Merge branch 'master' into package-data
DanielYang59 Sep 9, 2024
6faac54
Merge branch 'master' into package-data
DanielYang59 Sep 11, 2024
2f36ad0
Merge branch 'master' into package-data
DanielYang59 Sep 18, 2024
605df2c
experimented with setuptools-scm, but no luck to exclude file
DanielYang59 Sep 18, 2024
47025a6
maybe give setuptools-scm a chance, need really careful check of pack…
DanielYang59 Sep 18, 2024
49905f2
fix py.typed placement
DanielYang59 Sep 19, 2024
08bf67d
Merge branch 'master' into package-data
DanielYang59 Sep 26, 2024
f142b94
Merge branch 'master' into package-data
DanielYang59 Oct 13, 2024
73aa493
Merge branch 'master' into package-data
DanielYang59 Oct 15, 2024
1cd423a
Merge branch 'master' into package-data
DanielYang59 Oct 21, 2024
b2eda5b
Merge branch 'master' into package-data
shyuep Oct 21, 2024
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Merge branch 'master' into package-data
DanielYang59 Nov 13, 2024
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36 changes: 11 additions & 25 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -124,36 +124,22 @@ feff_plot_dos = "pymatgen.cli.feff_plot_dos:main"
get_environment = "pymatgen.cli.get_environment:main"

[tool.setuptools]
include-package-data = false
include-package-data = true

[tool.setuptools.exclude-package-data]
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"pymatgen" = [
"optimization/linear_assignment.c",
"optimization/linear_assignment.pyx",
"optimization/neighbors.c",
"optimization/neighbors.pyx",
"util/coord_cython.c",
"util/coord_cython.pyx",
]

[tool.setuptools.packages.find]
where = ["src"]
include = ["pymatgen", "pymatgen.*"]

[tool.setuptools.package-data]
"pymatgen.analysis" = ["*.csv", "*.json", "*.yaml"]
"pymatgen.analysis.chemenv" = [
"coordination_environments/coordination_geometries_files/*.json",
"coordination_environments/coordination_geometries_files/*.txt",
"coordination_environments/strategy_files/ImprovedConfidenceCutoffDefaultParameters.json",
]
"pymatgen.analysis.structure_prediction" = ["*.yaml", "data/*.json"]
"pymatgen.analysis.diffraction" = ["*.json"]
"pymatgen.analysis.magnetism" = ["default_magmoms.yaml"]
"pymatgen.analysis.solar" = ["am1.5G.dat"]
"pymatgen.entries" = ["*.json.gz", "*.yaml", "data/*.json"]
"pymatgen.core" = ["*.json"]
"pymatgen" = ["py.typed"]
"pymatgen.io.vasp" = ["*.json", "*.json.bz2", "*.json.gz", "*.yaml"]
"pymatgen.io.feff" = ["*.yaml"]
"pymatgen.io.cp2k" = ["*.yaml"]
"pymatgen.io.lobster" = ["lobster_basis/*.yaml"]
"pymatgen.command_line" = ["*"]
"pymatgen.util" = ["*.json", "structures/*.json"]
"pymatgen.vis" = ["*.yaml"]
"pymatgen.io.lammps" = ["CoeffsDataType.yaml", "templates/*.template"]
"pymatgen.symmetry" = ["*.json", "*.sqlite", "*.yaml"]

[tool.pdm.dev-dependencies]
lint = ["mypy>=1.10.0", "pre-commit>=3.7.1", "ruff>=0.4.9"]
test = ["pytest-cov>=5.0.0", "pytest-split>=0.9.0", "pytest>=8.2.2"]
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