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passagemath: Generation of nonisomorphic fullerenes with buckygen

Project description

About SageMath

“Creating a Viable Open Source Alternative to

Magma, Maple, Mathematica, and MATLAB”

Copyright (C) 2005-2024 The Sage Development Team

https://www.sagemath.org

SageMath fully supports all major Linux distributions, recent versions of macOS, and Windows (Windows Subsystem for Linux).

See https://doc.sagemath.org/html/en/installation/index.html for general installation instructions.

About this pip-installable distribution package

This pip-installable distribution passagemath-buckygen provides an interface to buckygen, a program for the efficient generation of all nonisomorphic fullerenes.

What is included

  • Binary wheels on PyPI contain prebuilt copies of buckygen.

Examples

Using buckygen programs on the command line:

$ pipx run --pip-args="--prefer-binary" --spec "passagemath-buckygen" sage -sh -c buckygen

Finding the installation location of an buckygen program:

$ pipx run --pip-args="--prefer-binary" --spec "passagemath-buckygen[test]" ipython

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