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pyproject.toml

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# =====================================================================
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# WARNING: This package is only supported and tested on Linux environments
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# (or WSL2 on Windows). Due to PySCF dependency, native Windows installation
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# is not recommended and may fail.
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# It is strongly recommended to first create an isolated environment using Conda and then perform the installation via pip.
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# $ conda create -n <env-name> python=3.12 pip
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# =====================================================================
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[build-system]
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requires = ["setuptools", "wheel"]
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build-backend = "setuptools.build_meta"
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[project]
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name = "MultiOptPy"
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version = "1.20.1"
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description = "Multifunctional geometry optimization tools for quantum chemical calculations. It is strongly recommended to first create an isolated environment using Conda and then perform the installation via pip."
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version = "1.20.2"
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description = "Multifunctional geometry optimization tools for quantum chemical calculations."
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readme = "README.md"
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requires-python = ">=3.12"
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license = {text = "GPLv3"}

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