Options

This page goes into the options you can choose in the cookiecutter, what they mean, and what they affect. If there are default values, they are explained.

project_name

This is the name of the project you would use when writing about it in the documentation. This can be anything, e.g. have spaces and hyphens.

repo_name

This is the name of the directory containing the package. It cannot contain spaces. This value is used to generate the URL to the project on GitHub (i.e. github.com/<github_host_account>/<repo_name>).

Default value: the project_name in lowercase, with spaces and hyphens replaced with underscores.

package_name

This is the name of the module you would use when importing your package. It must follow Python module naming rules, i.e. it cannot have spaces or hyphens.

Default value: the repo_name in lowercase, with spaces and hyphens replaced with underscores.

description

Give a short description of the project to appear in the README.

github_username

This should be your personal GitHub username. It is used for giving you credit in AUTHORS.md.

github_host_account

This should be the GitHub account name used to host the repository. In most cases, this will be the same as the GitHub username; however, if you are creating a package for an organisation, use the organisation account name. This value is used to generate the URL to the project on GitHub (i.e. github.com/<github_host_account>/<repo_name>).

If you set this to MDAnalysis, we will set some options for you. For example, the default logo and favicon will be the MDAnalysis logo and favicon. You will also have a footer detailing our privacy policy.

If you set this to another value, there will be entries in the documentation conf.py that use a placeholder logo and favicon.

Please see our mdanalysis-sphinx-theme documentation for more information.

Default value: the github_username.

author_name

This should be the name you prefer to go by, not your username. It is used for giving you credit in files such as AUTHORS.md, setup.py, and other packaging materials.

author_email

This should be an email address that you are comfortable getting contacted at. It is used for contact details in files such as AUTHORS.md, setup.py, and other packaging materials. It is also used as the point of contact in CODE_OF_CONDUCT.md.

dependency_source

This option determines which sources to use for dependencies for the package. It affects the continuous integration testing, as well as the dependency files written. The three choices (conda-forge, anaconda, and pip) are explained below.

Default value: conda-forge.

conda-forge

This option looks for dependencies first in the conda-forge channel, then the default anaconda channel, before falling back to pip.

Note

We highly recommend using conda-forge. conda is a great package manager for creating isolated environments, and managing dependencies between them. Moreover, many packages are available on conda-forge that are not on the default anaconda channel or pip.

anaconda

This option still uses conda to manage dependencies, but only uses the anaconda channel and pip fallback. This option would install MDAnalysis from PyPI . as it is not available on the default anaconda channel.

pip

This option only installs packages from PyPI.

include_ReadTheDocs

This option determines whether to include ReadTheDocs configuration (readthedocs.yaml) in the package. It does not affect the documentation itself. We recommend keeping ReadTheDocs, as it is a standard and easy way to automatically build documentation online.

Default value: “y” (True)

template_analysis_class

This option triggers the building of a skeleton custom analysis class, and associated tests. If a class name is given, it is used as the name of the analysis class. If it is not given, this step is skipped.

We strongly encourage using this option if you are planning to write custom analysis, as it copies a helpful template with comments and notes to modify.

Default value: skip