deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Interface testing with other third-party software is required #3117

Open pxlxingliang opened 10 months ago

pxlxingliang commented 10 months ago

Describe the Testing Issue

Currently, some software already supports post-processing of ABACUS. In the development process of ABACUS, we need some automated testing to detect whether these interfaces are available. The test examples are needed to set the automated testing in abacustest (https://labs.dp.tech/projects/abacustest/). These tests will be automated running on each Wednesday, and the results will be reported on https://deepmodeling-activity.github.io/abacus-test.github.io/index.html?pname=performance. Including the interface to (https://abacus.deepmodeling.com/en/latest/advanced/interface/index.html):

Additional Context

No response

Task list for Issue attackers (only for developers)

pxlxingliang commented 8 months ago

To prepare a test for one interface, we need the below steps:

  1. prepare a bohrium image, which has installed the interface, and can run the interface successfully.
  2. prepare a bash script run.sh for running interface tests and determining whether the results after testing are correct.

@dyzheng @mohanchen would you help to contact the related interface developer to prepare the image and scripts?