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Large tasks for 2021

1. GPU infrastructure development: #3311 (Artem Zhmurov)
2. Improve GPU update-constraints module: #3114 (Artem Zhmurov)
3. Further improvements to GPU Buffer Ops and Comms: #3370 (Alan Gray)
4. QM/MM Interface with CP2K: #3172 (Dmitry Morozov)
5. Constant pH: ?? (Paul Bauer)
6. GitLab migration: ?
(Paul Bauer)
7. Simulation workload: ??? (Szilard P)
8. MDModularisation of Pull code, essential dynamics, interactive md, awh, ion swapping and restraint module - #3201, #2590, #3040 (Christian Blau, Pascal Merz)
9. Modular simulator: #3418 (Pascal Merz)
10. External API #2045 (Eric Irrgang)