The pwtools package.

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data. See the feature overview for more.

Have a look at the docs -- html version of the files in doc/ along with auto-generated API documentation (by using sphinx-autodoc). Quick start instructions can be found in the tutorial. Many examples, besides the ones in the doc strings are in the tests.

To build the extension modules and install all Python dependencies via pip in one go, use:

$ pip3 install .

or the setuptools "development install" (no copy of files):

$ pip3 install -e .

See the install notes for details.