1. Getting Started

The Bfrescox package is capable of building, installing, and using a Frescox executable on macOS- and Linux-based systems. Our test suite presently checks builds with both macOS and Ubuntu. We expect that it would work with other similar Linux operating systems.

1.1. General Installations

While we intend for this package to eventually be distributed by PyPI for direct installation via pip, during this alpha development phase, users must install the package directly from a local clone of the Bfrescox repository. For developer installations, refer to the Section 2.

1.1.1. Dependencies

Building Frescox requires the installation of a known compiler suite including a Fortran compiler. At present, installations require either the use of the

• GCC compiler suite (gfortran) or

• an Intel compiler suite (ifort or ifx).

The package’s build system uses Meson and its backend ninja to automatically detect external dependencies, such as the compiler, and to build the binary. However, both of these dependencies are automatically installed temporarily on behalf of users during package installation.

1.1.2. Installation from local clone

After installing a local Bfrescox clone and setting up your target Python environment as desired, execute

$ cd /path/to/Bfrescox/bfrescox_pypkg
$ python -m pip install .

1.2. Testing

The Bfrescox Python package has an automated test suite integrated in the package that can be run to test an installation. After installing the package, the installation can be tested by executing

$ python
>>> import bfrescox
>>> bfrescox.__version__
<version>
>>> bfrescox.test()
    ...