test_nested_sampling error in test_reproducibility

isblab / nestor

Tool for optimizing the multi-scale coarse-grained representation of integrative models

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Closed shruthivis closed 6 months ago

shruthivis commented 6 months ago

OSError: UsageError: "This file is currently being written to. Close it first."

Fix RMF file close error in macro.

Add RMF file close command. Use subprocess. Or fix the PMI macros change that caused this.

shreyas-arvindekar commented 6 months ago

Fixed. Modified PMI macros to address this. PR accepted in PMI repo. See 26c9da6 or the corresponding PR