Installation¶

Requirements¶

mrinversion has the following strict requirements:

Python 3.6 or later
Numpy 1.17 or later

See Package dependencies for a full list of requirements.

Make sure you have the required version of python by typing the following in the terminal,

Tip

You may also click the copy-button located at the top-right corner of the code cell area in the HTML docs, to copy the code lines without the prompts and then paste it as usual. Thanks to Sphinx-copybutton)

$ python --version

For Mac users, python version 3 may be installed under the name python3. You may replace python for python3 in the above command and all subsequent python statements.

Installing `mrinversion`¶

On Google Colab Notebook¶

Colaboratory is a Google research project. It is a Jupyter notebook environment that runs entirely in the cloud. Launch a new notebook on Colab. To install the mrinversion package, type

!pip install mrinversion

in the first cell, and execute. All done! You may now proceed to the next section and start using the library.

On Local machine (Using pip)¶

The mrinversion package utilizes the mrsimulator package for generating the NMR line-shapes.

For Linux and Mac users, type the following in the terminal to install the package.

$ pip install mrinversion

For Windows users, first, install the mrsimulator package and then install the mrinversion package using the above command.

If you get a PermissionError, it usually means that you do not have the required administrative access to install new packages to your Python installation. In this case, you may consider adding the --user option, at the end of the statement, to install the package into your home directory. You can read more about how to do this in the pip documentation.

$ pip install mrinversion --user

Upgrading to a newer version¶

To upgrade, type the following in the terminal/Prompt,

$ pip install mrinversion -U