f90wrap: an automated tool for constructing deep Python interfaces to modern Fortran codes

James R Kermode
2020 Journal of Physics: Condensed Matter  
f90wrap is a tool to automatically generate Python extension modules which interface to Fortran libraries that makes use of derived types. It builds on the capabilities of the popular f2py utility by generating a simpler Fortran 90 interface to the original Fortran code which is then suitable for wrapping with f2py, together with a higher-level Pythonic wrapper that makes the existance of an additional layer transparent to the nal user. f90wrap has been used to wrap a number of large software
more » ... ckages of relevance to the condensed matter physics community, including the QUIP molecular dynamics code and the CASTEP density functional theory code.
doi:10.1088/1361-648x/ab82d2 fatcat:6frvtpn2pfcazkofijhmp674j4