QuantumSparse/pyproject.toml at master · EliaStocco/QuantumSparse · GitHub

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[project]
name = "quantumsparse"
version = "1.0.0"
description = "An efficient python package based on `scipy.sparse` to work with quantum spin operators"
authors = [
    { name = "Elia Stocco", email = "eliastocco@gmail.com" }
]
requires-python = ">=3.9"

dependencies = [
    "numpy",
    "scipy",
    "pandas",
    "typing-extensions",  # For better compatibility with type hints
    "matplotlib",
    "argparse",
    "dataclasses; python_version < '3.10'",  # Built-in from Python 3.10+
    "tqdm",
    "pathlib",
    "imageio[ffmpeg]"
]

[project.optional-dependencies]
dev = ["pytest"]

[build-system]
requires = ["setuptools>=61.0", "wheel"]
build-backend = "setuptools.build_meta"

[tool.setuptools.package-data]
quantumsparse = ["*.mplstyle"]

# This part is auto-generated by tools/generate_cli.py
[project.scripts]

# --- analysis ---
expectation_value_eigenstates = "quantumsparse.cli.analysis.expectation_value_eigenstates:main"

# --- correlation function ---
compute_corr_function = "quantumsparse.cli.correlation_function.compute_corr_function:main"
prepare_corr_function = "quantumsparse.cli.correlation_function.prepare_corr_function:main"

# --- diagonalization ---
add_Zeeman = "quantumsparse.cli.diagonalization.add_Zeeman:main"
construct_hamiltonian = "quantumsparse.cli.diagonalization.construct_hamiltonian:main"
diagonalize = "quantumsparse.cli.diagonalization.diagonalize:main"
dos = "quantumsparse.cli.diagonalization.dos:main"
operator_summary = "quantumsparse.cli.diagonalization.operator_summary:main"
prepare_shift = "quantumsparse.cli.diagonalization.prepare_shift:main"
prepare_spins = "quantumsparse.cli.diagonalization.prepare_spins:main"
rotate_operator = "quantumsparse.cli.diagonalization.rotate_operator:main"
rotate_spins = "quantumsparse.cli.diagonalization.rotate_spins:main"
spins_summary = "quantumsparse.cli.diagonalization.spins_summary:main"
test_diagonalization = "quantumsparse.cli.diagonalization.test_diagonalization:main"

# --- susceptibility ---
compute_dMdB = "quantumsparse.cli.susceptibility.compute_dMdB:main"
compute_magnetic_moments = "quantumsparse.cli.susceptibility.compute_magnetic_moments:main"
compute_susceptibility = "quantumsparse.cli.susceptibility.compute_susceptibility:main"
compute_susceptibility_numerical_stable = "quantumsparse.cli.susceptibility.compute_susceptibility_numerical_stable:main"
plot_susceptibility = "quantumsparse.cli.susceptibility.plot_susceptibility:main"

# --- test ---
generate_hermitean_operators = "quantumsparse.cli.test.generate_hermitean_operators:main"
test_eigenstates = "quantumsparse.cli.test.test_eigenstates:main"

# --- thermal average ---
compute_thermal_average = "quantumsparse.cli.thermal_average.compute_thermal_average:main"
get_temperatures = "quantumsparse.cli.thermal_average.get_temperatures:main"
plot_thermal_average = "quantumsparse.cli.thermal_average.plot_thermal_average:main"
prepare_thermal_average = "quantumsparse.cli.thermal_average.prepare_thermal_average:main"
statistical_weights = "quantumsparse.cli.thermal_average.statistical_weights:main"

# --- thermal average spins ---
prepare_thermal_average_spins = "quantumsparse.cli.thermal_average_spins.prepare_thermal_average_spins:main"