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Modular data analysis code for angle resolved photoemission spectroscopy (ARPES)

Project description

PyPES Banner

Documentation
Documentation

Installation

The simplest way to install the package is using pip. While this repository is private, you can install with pip by pointing pip to the URL of the repository as:

pip install --process-dependency-links -e

Once this project is published on PyPI, you can install by using

pip install arpes

You will need to install into a Python interpreter with version 3.5 or higher. Note that the –process-dependency-links directive appears in both commands and is necessary in order to include a patched version of the Igor interop library. If you have a newer version of pip, you might not be able to use -process-dependency-links as the pip team has deprecated this option. Please consult the FAQ for how to manually install a few extra dependencies if this is the case.

Windows Installation

Windows is not the most friendly operating system for scientific software. Although installation is absolutely possible manually, I cannot advocate Anaconda enough for Windows users, as it smooths out a lot of inhomogeneity in the process. For details on how to install manually, consult also the FAQ.

Alternative Installation

If for whatever reason you do not want to install the project as a package but would like to import it locally, legacy install instructions are available in the first section of README.legacy.rst.

This can be advantageous if you want to frequently change the package source without reinstalling. A further alternative is to clone the package and pip install from the local folder, which has the advantage of a simple installation procedure and puts the code someplace easily editable.

Additional Suggested Steps

  1. Clone or duplicate the folder structure in the repository arpes-analysis-scaffold, skipping the example folder and data if you like
  2. Install and configure standard tools like Jupyter or Jupyter Lab. Notes on installing and configuring Jupyter based installations can be found in jupyter.md
  3. Explore the documentation and example notebooks at the documentation site.

local_config.py

The local configuration allows you to override the settings that are committed to the repository and therefore shared. You can use this to as adjust settings on various interactive tools. For reference, Conrad’s looks like:

SETTINGS = {
    'interactive': {
        'main_width': 600,
        'marginal_width': 300,
        'palette': 'magma',
    },
}

IPython Kernel Customization

If you don’t want to have to import everything all the time, you should customize your IPython session so that it runs imports when you first spin up a kernel. There are good directions for how to do this online, but a short version is:

  1. Create an IPython profile, use this to start your notebooks
  2. In ~/.ipython/profile_default/ make a folder startup
  3. Add the files ~/.ipython/profile_default/startup/00-add-arpes-path.py and ~/.ipython/{Your profile}/startup/01-common-imports.ipy according to the templates in ipython_templates. See in particular note above about setting the environment variable using this file.
  4. Customize

It is important that the filenames you put are such that 00-add-arpes-path is lexographically first, as this ensures that it is executed first. The .ipy extension on 01-common-imports.ipy is also essential. Ask Conrad if any of this is confusing.

Contributing and Documentation

See the section on the docs site about contributing for information on adding to PyPES and rebuilding documentation from source.

Contact

Questions, difficulties, and suggestions can be directed to Conrad Stansbury (chstan@berkeley.edu) or added to the repository as an issue. In the case trouble, also check the FAQ.

Copyright © 2018 by Conrad Stansbury, all rights reserved.

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