Minor bugfixes and automation of PyBind11 bindings #3
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Check if argument names are reserved keywords in C++. If so, prepend an underscore to the name. Specifically, this was the case when using "this" as an argument name on the fortran side. Also added /venv to .gitignore
Moved the fortwrap.py file, and added a setup.py, such that fortwrap can be pip installed. Also moved some code from the __name__ == __main__ clause to the wrap() function, which is now called from the __name__ == __main__ clause. If fortwrap is pip installed, it can be run as python -m fortwrap <ordinary fortwrap options> I could have just made a symlink, but using "pip install -e" feels better, and is also nice if this is ever going out to pypi.
… based on regex match Using the fields %<include/exclude>_files [pattern1 pattern2 ...] and %<include/exclude>_procedures [pattern1 pattern2 ...]. Also added the -d/--directory command line option to the configuration file. Had to change the name sanitizer (see: c8a9711) to prepend "c_", because fortran does not permit leading underscores.
Ensuring that the modules in FortranISOWrappers.f90 are ordered such that they are compiled in the order of required dependencies. Also implemented searching for parent classes, such that the modules in FortranISOWrappers.f90 correctly USE each other. Successfully wrapped test case with multiple inheritance split among several modules.
Wrapper is compiled separately using cmake. The fortran files are included by first compiling the fortran files to an archive, and adding them to target_link_libraries in cmake.
test_py.py can be run to compute pressure, residual helmholtz energy and OPTIONALLY differentials. The pybind wrapping code in pybind11_bindings.cpp has been partially manually written. Specifically, the casting of py::none() to nullptr, the default value of the optional arguments to py::none(), and the casting from py::array_t to float**. Solved: Don't use std::vector for arrays passed to fortran, just use float**.
… modifiable arrays and optional arguments. The handling is done by passing modifiable values as np arrays: Pybind11 can directly access the underlying memory of the arrays in a lambda function and pass these to the internal c++ methods. Optional arguments are also handled by pybind11, rather than in the "plain" c++ wrapper classes. Still needs to be fixed: FortWrap incorrectly generates C++ methods taking e.g. float* as arguments, when they should take float** (see FortWrap thermopack demo). This is likely a quick fix in the c_arg_list function.
… Options class Now all parsing of options happens in one place, and the config file can be used to supply all options.
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Edit: We are maintaining a fork at https://github.com/thermotools, and are also automating generation of pybind11 bindings for the C++ wrapper :)
Hi,
It looks like we may be adopting this for our project :) If we do, we will be maintaining a fork at https://github.com/thermotools.
While I was testing it I made some modifications:
setup.pyand moved some files so thatpipcan be easily utilized.FortranISOWrappers.f90, so that modules are compiled in order of dependency. Also fixed bug where modules did not properly include each other.ConfigFileparser also read command-line argumentsPyBind11(still very experimental, may need manual modifications after being generated.)