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Test : add integrate tests for exx#2478

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pxlxingliang merged 2 commits into
deepmodeling:developfrom
PeizeLin:exx_autotest
May 19, 2023
Merged

Test : add integrate tests for exx#2478
pxlxingliang merged 2 commits into
deepmodeling:developfrom
PeizeLin:exx_autotest

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@PeizeLin

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@maki49

maki49 commented May 18, 2023

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These cases need to be run by abacus compiled with LibRI. Maybe @pxlxingliang or @baixiaokuang can help?

@pxlxingliang

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@PeizeLin You can modify the Dockerfile.gnu and Dockerfile.intel, and add -DENABLE_LIBRI=ON to use libri.

cmake -B build -DENABLE_DEEPKS=ON -DENABLE_LIBXC=ON && \

cmake -B build -DENABLE_DEEPKS=ON -DENABLE_LIBXC=ON && \

2. change Docker to ENABLE_LIBRI=ON
@pxlxingliang

pxlxingliang commented May 19, 2023

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Hi @PeizeLin , you also need to add -DENABLE_LIBRI=ON in .github/ workflows/test.yml, and so the CI test will compile with LIBRI.

cmake -B build -DBUILD_TESTING=ON -DENABLE_DEEPKS=ON -DENABLE_LIBXC=ON

@pxlxingliang pxlxingliang merged commit bf111e3 into deepmodeling:develop May 19, 2023
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3 participants