Add sirius_get_version method to API

electronic-structure / SIRIUS

Domain specific library for electronic structure calculations

BSD 3-Clause "New" or "Revised" License

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Closed oschuett closed 4 months ago

oschuett commented 4 months ago

It would be good if there was a way to query SIRIUS for its version number. See also https://github.com/cp2k/cp2k/issues/3286.

simonpintarelli commented 4 months ago

Thank you for the suggestion. I will add this to the fortran interface. What is the preferred format?

sirius_get_version_major(int* v);
sirius_get_version_minor(int* v);
sirius_get_version_revision(int* v);

or should it be returned as a string major.minor.revision?

oschuett commented 4 months ago

Thanks a lot for the quick implementation! The format is good.