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Docs: update the default recommended requirements for conda#3924

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caic99 merged 2 commits into
deepmodeling:developfrom
caic99:conda-install-doc
Apr 8, 2024
Merged

Docs: update the default recommended requirements for conda#3924
caic99 merged 2 commits into
deepmodeling:developfrom
caic99:conda-install-doc

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@caic99

@caic99 caic99 commented Apr 7, 2024

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Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

  • Example: My changes might affect the performance of the application under certain conditions, and I have tested the impact on various scenarios...

Any changes of core modules? (ignore if not applicable)

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@caic99 caic99 requested a review from dyzheng April 7, 2024 07:54
@caic99 caic99 marked this pull request as draft April 7, 2024 09:29

@mohanchen mohanchen left a comment

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LGTM

@caic99 caic99 marked this pull request as ready for review April 8, 2024 02:55
@caic99

caic99 commented Apr 8, 2024

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ABACUS installed by conda is able to deliver similar performance compared with GNU toolchain (test report on davidson method).
However, there are errors on some ELPA test cases (test report). We will track it on another issue.

@caic99 caic99 merged commit ee0dc6f into deepmodeling:develop Apr 8, 2024
@caic99 caic99 deleted the conda-install-doc branch April 8, 2024 02:59
@caic99 caic99 restored the conda-install-doc branch April 10, 2024 03:09
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2 participants