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GQCG / GQCP

The Ghent Quantum Chemistry Package for electronic structure calculations
https://gqcg.github.io/GQCP/
GNU Lesser General Public License v3.0
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Generate the total include header/Doxygen file automatically #556

Open lelemmen opened 4 years ago

lelemmen commented 4 years ago

Describe the current state of a part of the code Currently, the include header gqcp.hpp has to be manually updated every time a new file is added or if a file is deleted.

The same goes for adding/removing directories in the Doxygen file.

Describe a change that would improve the code base It would be nice if these files could be updated automatically, by e.g. calling a Python script, similar to how the copyright headers are maintained through the script in tools.

lelemmen commented 3 years ago

@dariatols Do you think this can be done using CMake?

dariavh commented 3 years ago

@lelemmen I'm quite sure of the possibility to invoke a script using CMake, but I should take a further look at the literature as I am not familiar with running custom scripts.

lelemmen commented 3 years ago

It doesn't have to be a Python script per se, I'm just asking if you think we can solve this issue using only CMake.