Don't split tasks in the modules #970
Labels
enhancement
Enhancing an existing feature of adding a new one
execution
Related to execution modes, such as GRID, HPC, local, etc.
Desired feature/enhancement
Refactor code that is splitting tasks in the modules
Motivation
libparallel
recieves a set of tasks and handles the split and balancing of them, however this is also being done elsewhere in the code.haddock3/src/haddock/modules/analysis/ilrmsdmatrix/__init__.py
Line 110 in 01eb9ae
haddock3/src/haddock/modules/analysis/ilrmsdmatrix/__init__.py
Line 308 in 01eb9ae
haddock3/src/haddock/modules/analysis/rmsdmatrix/rmsd.py
Line 50 in 01eb9ae
haddock3/src/haddock/libs/libalign.py
Line 1289 in 01eb9ae
haddock3/src/haddock/modules/analysis/alascan/__init__.py
Line 63 in 01eb9ae
haddock3/src/haddock/modules/analysis/rmsdmatrix/__init__.py
Line 88 in 01eb9ae
haddock3/src/haddock/modules/analysis/rmsdmatrix/__init__.py
Line 141 in 01eb9ae
Related implementations that generate multiple files relying on the task split to retrieve information;
haddock3/src/haddock/modules/analysis/caprieval/capri.py
Line 615 in 7a9434e
haddock3/src/haddock/modules/analysis/ilrmsdmatrix/__init__.py
Line 285 in 01eb9ae
Description
For maintanability, consistency and simplicity this should be handled in a single library.
Additional context
Would be good if we could make this clear into some developer manual
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