Fortran backend - #281
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mpmdean wants to merge 3 commits into
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* models/ops legacy compatibility changed initial Hilbert space to omit the filled core shell * update basis shape test
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This PR does two things.
Firstly, add a Fortran backend where the same user-facing interface can be redirected to execute the Fortran. This presents a more convenient uniform front-facing interface for users allowing us to remove the somewhat bloated, duplicated scripting stuff from the user facing part of the codebase.
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Secondly it addressed as a portability issue. Previously, the calls into the Fortran happened almost exclusively with rights to disc. The only thing that was directly passed between Python and Fortran was the MPI communicator. Despite these layers being actually very separate, passing the MPI communicator forced the co-compilation of the Fortran and the NumPy. This made it very difficult to install.
With a little bit of orchestration within the code. It's possible for the Python to make a subroutine call to execute the Fortran. This should make the code trivially installable in all cases, but still allow the Fortran to run contingent only having the Fortran itself compiled.