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Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files #12303

Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files

Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files #12303

Workflow file for this run

name: Integration Test and Unit Test
on:
pull_request:
concurrency:
group: ${{ github.workflow }}-${{ github.ref }}
cancel-in-progress: true
jobs:
test:
name: Test
runs-on: X64
if: github.repository_owner == 'deepmodeling'
container:
image: ghcr.io/deepmodeling/abacus-gnu
volumes:
- /tmp/ccache:/github/home/.ccache
steps:
- name: Checkout
uses: actions/checkout@v4
with:
submodules: recursive
fetch-depth: 0
- name: Install CI tools
run: |
sudo apt-get update
sudo apt-get install -y ccache ca-certificates python-is-python3 python3-pip
sudo pip install clang-format clang-tidy
- name: Configure
run: |
cmake -B build -DBUILD_TESTING=ON -DENABLE_DEEPKS=ON -DENABLE_MLKEDF=ON -DENABLE_LIBXC=ON -DENABLE_LIBRI=ON -DENABLE_PAW=ON -DENABLE_GOOGLEBENCH=ON -DENABLE_RAPIDJSON=ON -DCMAKE_EXPORT_COMPILE_COMMANDS=1
# Temporarily removed because no one maintains this now.
# And it will break the CI test workflow.
# - uses: pre-commit/[email protected]
# with:
# extra_args:
# --from-ref ${{ github.event.pull_request.base.sha }}
# --to-ref ${{ github.event.pull_request.head.sha }}
# continue-on-error: true
# - uses: pre-commit-ci/[email protected]
- name: Build
run: |
cmake --build build -j8
cmake --install build
- name: Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700"