Introduction

Implementation

Materials chempy requires python 3.7+, with it other necessary python packages contained in the project requirement.txt respective files. The module is available on https://www.github.com/eduardotlc/Materials_Chempy or pypi, published under the MIT license. This project is still in pre-release early development stages, any code improvement commit is welcome and appreciated.

Download

Get the latest version in the github repository.

An early stage version of this documentation can be checked in the project documentation (Since you are here you must have noticed it.)

Installation

Materials_Chempy requires python 3.7 or higher.

Python

You can install the general python requirements , or each submodule

specific requirements (for example the database analysis requirements).

The package can be installed direct from source by cloning the repo

git clone git@github.com:eduardotlc/materials_chempy
cd materials_chempy
python -m pip install -r requirements.txt
python -m pip install -ve .

Conda

You can also install the package in an conda virtual environment, which

is highly recommende, to do so, with conda already installed, run

git clone git@github.com:eduardotlc/materials_chempy
cd materials_chempy
conda env update --file environment.yml --name materials_chempy
python -m pip install -ve .

Public repositories

Due to the current early developement stage of this project, it is not

yet available in public repos like pypi or conda-forge. This constation is also a sign, to proceed with caution on the usage of this repo on its current state.

Testing

This project functions tests are written in docstrings formats, as shown in this documentation functions autodocs. To run all project tests, inside docs folder, run:

make tests

If you want to test only an specific file functions, you can run the following command, also inside docs folder

python -m pytest --doctest-utils <path_to_file>

Make sure to install the tests requirements before executing them.