diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 00000000000..0612c6ac7f1 --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,11 @@ +# Exclude entire directories +prune .github/ +prune dev_scripts/ +prune docs/ +prune examples/ +prune tests/ + +# Exclude individual files +exclude .* \ + ADMIN.md CONTRIBUTING.md SECURITY.md \ + CITATION.cff pdm.lock tasks.py diff --git a/pyproject.toml b/pyproject.toml index 629856ee598..60befbb04b5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -5,6 +5,7 @@ requires = [ # https://numpy.org/devdocs/dev/depending_on_numpy.html#build-time-dependency "numpy>=2.1.0", "setuptools>=65.0.0", + "setuptools-scm>=8", # include all Git tracked files as package data file ] build-backend = "setuptools.build_meta" @@ -121,37 +122,10 @@ feff_plot_cross_section = "pymatgen.cli.feff_plot_cross_section:main" feff_plot_dos = "pymatgen.cli.feff_plot_dos:main" get_environment = "pymatgen.cli.get_environment:main" -[tool.setuptools] -include-package-data = false - [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"]