Installation

Requirements

At least Python 3.12 is required to run ComPyTools with the following packages:

  • Astropy: for displaying data in tabular form and to attach metadata and units to the data. We also use physical constants defined within astropy,

  • Matplotlib: for plotting EoS data,

  • Pandas: for writing out tabulated data into text files,

  • Rich: for log output and tabulating metadata information.

  • Scipy: for performing numerical integration.

Additional libraries are also needed in order to build and install the package:

  • CompOSE: a set of Fortran routines for computing the interpolated tables. This is included as part of the ComPyTools package,

  • cmake and make: for compiling the CompOSE Fortran routines,

  • gfortran: compiler for the Fortran routines,

  • micromamba: for creating the software environment within which to install ComPyTools.

Using pip

The first step is to create a micromamba environment within which to install the minimum required version of Python and the software needed to build and install ComPyTools.

Note

micromamba is a faster, drop-in alternative to conda. If you don’t already have micromamba installed on your machine, you can install it with the command "${SHELL}" <(curl -L micro.mamba.pm/install.sh) for MacOS and Linux systems. Further information can be found here.

To create the environment run the following command in your terminal:

micromamba create -n compytools-env -c conda-forge python=3.12 cmake make gfortran

and then activate it with:

micromamba activate compytools-env

Note

When the environment is no longer needed it can be deactivated with micromamba deactivate.

Finally, ComPyTools can be installed with:

pip install compytools

For developers

For those who wish to make developments to the code, the repository can be cloned with

git clone --recursive https://gitlab.in2p3.fr/lpc-caen/compytools.git

and then enter the code directory with

cd compytools

The micromamba environment can be created and activated using

micromamba create -n compytools-env -c conda-forge python=3.12 cmake make gfortran

micromamba activate compytools-env

Finally, the package can be installed (with additional packages needed for developments) with

pip install -e .[dev]

To check that the installation proceeded correctly, the unit tests can be run with:

python -m pytest