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This PR adresses some problems with the test pipeline. These have been identified locally, as they are related to incomplete MALA installs and LAMMPS usage, both of which are not checked in the CI. Namely, this fixes:
oapackage
conditional on this optional package being present #473The way 2. and 3. were hotfixed (changing test order manually by renaming test which is obviously a bad solution) means that we should implement an actually proper way to reorder tests, see #478 .