Thank you for your reply,
Sadly though I'd already tried using the boundary itself as a ground plane but unfortunately it turned out to be even more problematic. The main problem with such perfect E-field boundary is that I cannot get rid of phase differences along the plane of the boundary, which is not surprising as that is basically how a perfect conductor plane would act irl. Therefore the reflection then strongly depends on the size of the box and even rises above -0.1dB once the pathway of currents on the box becomes closer to lambda/4. Having that, I have also tried increasing the size of the box to a point where the path would be lambda/2 but again no success, assuming the parasitic capacitance of the box was causing the problem there.
So then I believe there are no hypothetical elements or boundary methods in HFSS to get rid of phase difference, it seems I have to replace my ports in my design by means of attaching U-shaped coax probes where I'd like to measure and connecting them all to the body of my package.