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Integration Test and Unit Test

Fix DM in PEXSI #13559

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Fix DM in PEXSI

Fix DM in PEXSI #13559

Workflow file for this run

.github/workflows/test.yml at 7d29c43
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 repository
uses: actions/checkout@v5
with:
fetch-depth: 0
# We will handle submodules manually after fixing ownership
submodules: 'false'
- name: Take ownership of the workspace and update submodules
run: |
sudo chown -R $(whoami) .
git submodule update --init --recursive
- 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_MLALGO=ON -DENABLE_LIBXC=ON -DENABLE_LIBRI=ON -DENABLE_GOOGLEBENCH=ON -DENABLE_RAPIDJSON=ON -DCMAKE_EXPORT_COMPILE_COMMANDS=1 -DENABLE_FLOAT_FFTW=ON
# 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: Integrated Tests Preparation
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R integrated_test"
- name: Module_Base Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_BASE"
- name: Module_IO Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_IO"
- name: Module_HSolver Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_HSOLVER"
- name: Module_Cell Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_CELL"
- name: Module_MD Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_MD"
- name: source_psi Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R source_psi"
- name: Module_RI Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_RI"
- name: 01_PW Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 01_PW"
- name: 02_NAO_Gamma Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 02_NAO_Gamma"
- name: 03_NAO_multik Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 03_NAO_multik"
- name: 04_FF Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 04_FF"
- name: 05_rtTDDFT Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 05_rtTDDFT"
- name: 06_SDFT Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 06_SDFT"
- name: 07_OFDFT Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 07_OFDFT"
- name: 08_EXX Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 08_EXX"
- name: 09_DeePKS Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 09_DeePKS"
- name: 10_others Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 10_others"
- name: Other Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -E 'integrate_test|01_PW|02_NAO_Gamma|03_NAO_multik|04_FF|05_rtTDDFT|06_SDFT|07_OFDFT|08_EXX|09_DeePKS|10_others|11_PW_GPU|12_NAO_Gamma_GPU|13_NAO_multik_GPU|15_rtTDDFT_GPU|16_SDFT_GPU|MODULE_BASE|MODULE_IO|MODULE_HSOLVER|MODULE_CELL|MODULE_MD|source_psi|MODULE_RI'"