Ringo

Ringo is a quantum chemistry program written in Fortran, designed for electronic structure calculations.

Note: In the development of Ringo, I have referred to the code and design of several software, including PySCF, Q-Chem, Psi4, and YATDFT.

Dependencies

• Libcint, for electron integrals
• LAPACK / BLAS provider, OpenBLAS is recommended

Build

• fpm, version 0.7.0 or newer

Edit PROJECT_ROOT with your actual path in the fpm.toml, then run

fpm buid

Make sure that libcint and OpenBLAS have been added in the LIBRARY_PATH environment variable. A detailed tutorial has been documented in the Manifest reference of fpm.

Example

Run

fpm run -- ./example/test.inp