Commits on May 7, 2021

1. PwBaseWorkChain: fix bug in validate_resources validator …

   The `validate_resources` outline step would check that the
   `metadata.options` namespace included at least the input
   `resources.num_machines` and `max_wallclock_seconds` as long as the
   automatic parallelization feature was not enabled. This was added when
   the workchain was first developed, because the scheduler resources were
   not validated on the base `CalcJob` in `aiida-core`.
   
   However, since `aiida-core==1.0.0` the scheduler resources are validated
   on the `CalcJob` base class. This means that a `PwBaseWorkChain` will
   now not even be instantiated if the resources for the `PwCalculation`
   are insufficient, so it is better to leave the validation up to the base
   class.
   
   What is worse, the logic in `validate_resources` is actually incorrect
   as it assumed that the resources always need to include `num_machines`.
   However, this is not the case as it is actually `Scheduler`
   implementation specific, and for example for the `SgeScheduler` this
   field is even prohibited and will raise when specified. This made that
   the `PwBaseWorkChain` was fundamentally incompatible with those
   schedulers before this fix.
   
   The `PhBaseWorkChain` suffered from the same bug and has also been
   fixed.

   

   sphuber committed May 7, 2021
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