/pyscf-tblis

A wrapper to call TBLIS functions

Primary LanguagePythonApache License 2.0Apache-2.0

A wrapper of TBLIS library

2021-03-14

  • Version 0.1

Install

pip install pyscf-tblis

This will compile and install TBLIS in addition to the wrapper. If you already have TBLIS installed on your system (e.g. if you installed the conda-forge package) you can run

CMAKE_CONFIGURE_ARGS="-DVENDOR_TBLIS=off" pip install . --no-deps