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Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue #12735

Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue

Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue #12735

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_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: Module_Psi Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_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_LJ_DP Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
cmake --build build --target test ARGS="-V --timeout 1700 -R 04_LJ_DP"
- 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_LJ_DP|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|MODULE_PSI|MODULE_RI'"