With Package Managers
=====================

The easiest way to directly install ``13CFLUX`` is via Python package managers. This is the preferred way for
everyone, who seeks out to use ``13CFLUX`` for low to medium complex (:sup:`13`\ C-)MFA. We currently recommend to use
the Python Package Index (PyPI) with ``pip`` for the installation. Note that installation of ``13CFLUX`` via package 
managers is currently only supported for Linux systems. 

..
   conda installation
   ------------------
   Download ``conda`` (or better, a faster frontend like ``miniconda``) and create a designated environment for ``13CFLUX``

   .. code:: bash

      conda create -n x3cflux

   Activate this environment by :code:`conda activate x3cflux` and install the software (and its dependencies) by

   .. code:: bash

      conda install x3cflux

Since the front for ``ipopt``, ``cyipopt``, does not install the low-level C++ code that is require to run
optimizations, ``ipopt`` has to be first installed either manually (see
`this comprehensive guide <https://coin-or.github.io/Ipopt/INSTALL.html>`_) or via ``conda`` by

.. code:: bash

   conda install -c conda-forge cyipopt

Then, ``13CFLUX`` can be installable by

.. code:: bash

   pip install x3cflux

If error messages indicate that ``cyipopt`` is incapable to find its C++ counterpart, include the directory containing
the ipopt libraries in the :code:`PKG_CONFIG_PATH` during install and to :code:`RPATH` during runtime.