Installing matminer

Matminer requires Python 3.9+.

It is strongly recommend that you install it in a virtual environment (using e.g., conda, Python’s venv, or related tools) to avoid conflicts with other packages.

There are a couple of quick and easy ways to install matminer (see also some tips below):

Install and update via pip

If you have installed pip, simply run the command in a bash terminal:

$ pip install matminer

or, to install matminer in your user home folder, run the command:

$ pip install matminer --user

To update matminer, simply type pip install --upgrade matminer.

This will install the latest version of all of matminer’s dependencies. In cases of future incompatibility, you can install the specific versions used for testing matminer by following the development instructions below.

Install in development mode

To install from the latest source of the matminer code in developmental mode, clone the Git source:

$ git clone https://github.com/hackingmaterials/matminer.git

and then enter the cloned repository/folder to install in developer mode:

$ cd matminer
$ pip install -r requirements/requirements-ubuntu_py3.11.txt  # or corresponding file for your platform
$ pip install -e .

To update matminer, simply enter your cloned folder and type ``git pull``g

Tips

• Make sure you are using a compatible Python version (3.9+ at time of writing).

• If you have trouble with the installation of a component library (sympy, pymatgen, mdf-forge, etc.), you can try to run pip install <<component>> or (if you are using Anaconda) conda install <<component>> first, and then re-try the installation.

  • For example, installing pymatgen on a Windows platform is easiest with Anaconda via conda install -c conda-forge pymatgen.

• If you still have trouble, open up a ticket on our forum describing your problem in full (including your system specifications, Python version information, and input/output log). There is a good likelihood that someone else is running into the same issue, and by posting it on the forum we can help make the documentation clearer and smoother.