metrumresearchgroup / mrgsolve

Simulate from ODE-based population PK/PD and QSP models in R
https://mrgsolve.org
GNU General Public License v2.0
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[F] Implement libsoda ode solver #504

Closed kylebaron closed 5 years ago

kylebaron commented 5 years ago

Summary

Replace ODEPACK ode solver with lsoda solver written in C++

https://github.com/dilawar/libsoda

FIrst step is to just get the simulation going with the new solver. I'd like to get it implemented alongside ODEPACK so we can still easily benchmark; but if it does well, tempted to just leave the FORTRAN code behind.

See pull request #519

The switch and code were discussed briefly with @chousand-metrum and @dpastoor

The switch was necessary due to repeated compiler warnings coming from the old ODEPACK code as CRAN moves to newer fortran compilers.

Tests

kylebaron commented 5 years ago

The c++ solver worked really well. Deciding to make the switch.

This also removes odepack authors as package contributors and adds the author of the C++ lsoda code

/***

See . dc19112c2956498c172e6b4881040872384ffa81

dpastoor commented 5 years ago

LGTM