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DFT Utilities [PR-1] [Config | Ztypes] #3588

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merged 4 commits into from
Oct 2, 2023
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GreatRSingh
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@GreatRSingh GreatRSingh commented Oct 2, 2023

Description

Fix #(issue)

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@GreatRSingh GreatRSingh mentioned this pull request Oct 2, 2023
43 tasks
CHUNK_MEMORY: int
The memory for splitting big tensors into chunks
VERBOSE: int
Verbosity level
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Need more clarification on the attributes and how they help in context to the task you are gonna perform. (like verbosity level can be explained further)


def test_config():
conf = config
assert conf.THRESHOLD_MEMORY == 10 * 1024**3
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are the config variables required to be constant? Or can the user try to change them as well?

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It looks like they used it as an overall configuration. I didn't find case of modification.

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and I found some cases in which they have modified these.
dqc/test/benchmarks.py: config.VERBOSE = 1
and 2 more locations.

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Let's merge in for now, but we may need to come back later and clean this up

@shaipranesh2
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@GreatRSingh I have some questions on this PR.
I understand you are trying to specify the config for the DFT tasks. But can the config variables become parameters for the DFT function that you will write? instead of reading it in a separate file like this?

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@GreatRSingh I have some questions on this PR. I understand you are trying to specify the config for the DFT tasks. But can the config variables become parameters for the DFT function that you will write? instead of reading it in a separate file like this?

I think they had used it as an overall limit specifier for their DFT functions. so i guess one file should be better.

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I think I understand your thought, we should have these configurations according to our own ML Hardware system.

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LGTM

@rbharath rbharath merged commit 422e747 into deepchem:master Oct 2, 2023
24 of 33 checks passed
@GreatRSingh GreatRSingh deleted the deep-1 branch October 2, 2023 17:04
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3 participants