Create a conda environment for the eChem book

Use a faster conda solver

With the new conda-libmamba-solver conda can run much faster. Read more in this blog post. For newer distributions libmamba is the default solver, and you can check which one you have and, if needed, update with

conda info
conda update -n base conda
conda install -n base conda-libmamba-solver
conda config --set solver libmamba

Create the echem environment

Using the echem.yml file (stored at the root of the echem directory) to create a conda environment echem will install all needed packages to compile the book.

conda env create -f echem.yml

Update your echem environment

If the echem.yml file has been updated and you would like to update your echem environment accordingly, use the following command

conda env update -f echem.yml --prune

Known issues

If conda update -n base conda does not work as expected (link to issue), you can try conda install with explicit conda version, such as conda install -n base conda=23.3.1
If you encounter InvalidArchiveError (link to issue), run conda clean --all and try again.
If you encounter DLL load failed error on Windows (link to issue), try the fix documented in this link.
When using Python 3.11 you may need to set environment variable PYDEVD_DISABLE_FILE_VALIDATION to 1 (see this link).

Commands

Run notebooks by opening jupyter-lab (or jupyter-notebook):

$ jupyter-lab

Jupyter can access folders below where it is spawned, so initiate it in, e.g. the main eChem folder. Examples on how to use Jupyter can be found here.

Build the book:

$ jupyter-book build .

Publish the html-version:

$ ghp-import -n -p -f _build/html

agoetz / echem