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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Nov 15, 2023
1 parent b333c55 commit ab51796
Showing 1 changed file with 5 additions and 2 deletions.
7 changes: 5 additions & 2 deletions aiida_nanotech_empa/workflows/cp2k/phonons_workchain.py
Original file line number Diff line number Diff line change
Expand Up @@ -91,8 +91,11 @@ def setup(self):
self.ctx.options = self.inputs.options
self.ctx.geo_options = copy.deepcopy(self.ctx.options)
self.ctx.geo_options["resources"]["num_machines"] = int(
max(1,self.ctx.phonons_params["nproc_rep"]
/ self.ctx.options["resources"]["num_mpiprocs_per_machine"])
max(
1,
self.ctx.phonons_params["nproc_rep"]
/ self.ctx.options["resources"]["num_mpiprocs_per_machine"],
)
)
self.ctx.input_dict["GLOBAL"]["WALLTIME"] = max(
600, self.ctx.options["max_wallclock_seconds"] - 600
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