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Add an alternative Precommit workflow
1 parent 32bd415 commit f2c9297

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Lines changed: 1202 additions & 40 deletions

‎.github/workflows/precommit.yml‎

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name: Precommit
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on:
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workflow_dispatch:
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pull_request:
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concurrency:
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group: ${{ github.workflow }}-${{ github.ref }}
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cancel-in-progress: true
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jobs:
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test:
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name: Precommit
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runs-on: ubuntu-latest
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steps:
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- name: Checkout repository
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uses: actions/checkout@v6
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with:
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fetch-depth: 0
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# We will handle submodules manually after fixing ownership
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submodules: 'false'
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- name: Update submodules
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run: |
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git config --global --add safe.directory "$GITHUB_WORKSPACE"
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git submodule update --init --recursive
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- name: Configure precommit server
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run: |
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cd tools/precommit
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./start_local_server.sh &
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- name: Wait for precommit server
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run: |
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for i in {1..300}; do
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if curl -fs -o /dev/null http://127.0.0.1:8080/ 2>/dev/null; then
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echo "precommit server is ready"
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exit 0
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fi
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sleep 1
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done
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echo "precommit server did not become ready" >&2
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echo "==== precommit server log ====" >&2
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cat "$RUNNER_TEMP/precommit-server.log" >&2 || true
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exit 1
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- name: Run precommit
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env:
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ABACUS_PRECOMMIT_SERVER: "http://127.0.0.1:8080"
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run: |
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if ! ./tools/precommit/precommit.py --no-cache; then
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echo ""
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echo "********************************************"
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echo "* *"
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echo "* O/ Try running ./make_pretty.sh *"
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echo "* /| *"
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echo "* / \\ *"
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echo "********************************************"
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echo ""
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exit 1
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fi

‎.github/workflows/test.yml‎

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@@ -32,214 +32,239 @@ jobs:
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- name: Install CI tools
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run: |
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sudo apt-get update
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sudo apt-get install -y ccache ca-certificates python-is-python3 python3-pip
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sudo pip install clang-format clang-tidy
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sudo apt-get install -y ccache ca-certificates python-is-python3
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- name: Configure
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run: |
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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
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# Temporarily removed because no one maintains this now.
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# And it will break the CI test workflow.
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# - uses: pre-commit/action@v3.0.1
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# with:
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# extra_args:
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# --from-ref ${{ github.event.pull_request.base.sha }}
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# --to-ref ${{ github.event.pull_request.head.sha }}
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# continue-on-error: true
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# - uses: pre-commit-ci/lite-action@v1.0.3
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- name: Build
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run: |
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cmake --build build -j8
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cmake --install build
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- name: Prepare ctest wrapper
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run: |
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cat > "$RUNNER_TEMP/run_ctest.sh" <<'EOF'
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#!/usr/bin/env bash
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set +e
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name="$1"
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shift
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echo "::group::$name"
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ctest --test-dir build -V --timeout 1700 "$@"
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status=$?
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echo "::endgroup::"
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if [ "$status" -ne 0 ]; then
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echo "$name" >> "$RUNNER_TEMP/failed-tests.txt"
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echo "::error title=$name failed::ctest exited with status $status"
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fi
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exit 0
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EOF
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chmod +x "$RUNNER_TEMP/run_ctest.sh"
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- name: Integrated Tests Preparation
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R integrated_test
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"$RUNNER_TEMP/run_ctest.sh" "Integrated Tests Preparation" -R integrated_test
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- name: Module_Base Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_BASE
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"$RUNNER_TEMP/run_ctest.sh" "Module_Base Unittests" -R MODULE_BASE
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- name: Module_IO Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_IO
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"$RUNNER_TEMP/run_ctest.sh" "Module_IO Unittests" -R MODULE_IO
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- name: Module_HSolver Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_HSOLVER -E PERF_MODULE_HSOLVER_KERNELS
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"$RUNNER_TEMP/run_ctest.sh" "Module_HSolver Unittests" -R MODULE_HSOLVER -E PERF_MODULE_HSOLVER_KERNELS
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- name: Module_Cell Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_CELL
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"$RUNNER_TEMP/run_ctest.sh" "Module_Cell Unittests" -R MODULE_CELL
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- name: Module_MD Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_MD
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"$RUNNER_TEMP/run_ctest.sh" "Module_MD Unittests" -R MODULE_MD
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- name: Module_Psi Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_PSI
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"$RUNNER_TEMP/run_ctest.sh" "Module_Psi Unittests" -R MODULE_PSI
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- name: Module_RI Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_RI
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"$RUNNER_TEMP/run_ctest.sh" "Module_RI Unittests" -R MODULE_RI
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- name: Module_Estate Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_ESTATE
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"$RUNNER_TEMP/run_ctest.sh" "Module_Estate Unittests" -R MODULE_ESTATE
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- name: Module_Hamilt Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_HAMILT
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"$RUNNER_TEMP/run_ctest.sh" "Module_Hamilt Unittests" -R MODULE_HAMILT
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- name: Module_PW Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_PW
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"$RUNNER_TEMP/run_ctest.sh" "Module_PW Unittests" -R MODULE_PW
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- name: Module_LCAO Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_LCAO
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"$RUNNER_TEMP/run_ctest.sh" "Module_LCAO Unittests" -R MODULE_LCAO
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- name: Module_AO Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_AO
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"$RUNNER_TEMP/run_ctest.sh" "Module_AO Unittests" -R MODULE_AO
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- name: Module_NAO Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_NAO
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"$RUNNER_TEMP/run_ctest.sh" "Module_NAO Unittests" -R MODULE_NAO
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- name: Module_RELAX Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_RELAX
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"$RUNNER_TEMP/run_ctest.sh" "Module_RELAX Unittests" -R MODULE_RELAX
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- name: Module_LR Unittests
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R MODULE_LR
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"$RUNNER_TEMP/run_ctest.sh" "Module_LR Unittests" -R MODULE_LR
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- name: 01_PW Test
171183
env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R 01_PW
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"$RUNNER_TEMP/run_ctest.sh" "01_PW Test" -R 01_PW
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- name: 02_NAO_Gamma Test
178190
env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R 02_NAO_Gamma
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"$RUNNER_TEMP/run_ctest.sh" "02_NAO_Gamma Test" -R 02_NAO_Gamma
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- name: 03_NAO_multik Test
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R 03_NAO_multik
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"$RUNNER_TEMP/run_ctest.sh" "03_NAO_multik Test" -R 03_NAO_multik
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- name: 04_FF Test
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
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ctest --test-dir build -V --timeout 1700 -R 04_FF
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"$RUNNER_TEMP/run_ctest.sh" "04_FF Test" -R 04_FF
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- name: 05_rtTDDFT Test
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env:
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GTEST_COLOR: 'yes'
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OMP_NUM_THREADS: '2'
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run: |
203-
ctest --test-dir build -V --timeout 1700 -R 05_rtTDDFT
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"$RUNNER_TEMP/run_ctest.sh" "05_rtTDDFT Test" -R 05_rtTDDFT
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- name: 06_SDFT Test
206218
env:
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GTEST_COLOR: 'yes'
208220
OMP_NUM_THREADS: '2'
209221
run: |
210-
ctest --test-dir build -V --timeout 1700 -R 06_SDFT
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"$RUNNER_TEMP/run_ctest.sh" "06_SDFT Test" -R 06_SDFT
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212224
- name: 07_OFDFT Test
213225
env:
214226
GTEST_COLOR: 'yes'
215227
OMP_NUM_THREADS: '2'
216228
run: |
217-
ctest --test-dir build -V --timeout 1700 -R 07_OFDFT
229+
"$RUNNER_TEMP/run_ctest.sh" "07_OFDFT Test" -R 07_OFDFT
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219231
- name: 08_EXX Test
220232
env:
221233
GTEST_COLOR: 'yes'
222234
OMP_NUM_THREADS: '2'
223235
run: |
224-
ctest --test-dir build -V --timeout 1700 -R 08_EXX
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"$RUNNER_TEMP/run_ctest.sh" "08_EXX Test" -R 08_EXX
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226238
- name: 09_DeePKS Test
227239
env:
228240
GTEST_COLOR: 'yes'
229241
OMP_NUM_THREADS: '2'
230242
run: |
231-
ctest --test-dir build -V --timeout 1700 -R 09_DeePKS
243+
"$RUNNER_TEMP/run_ctest.sh" "09_DeePKS Test" -R 09_DeePKS
232244
233245
- name: 10_others Test
234246
env:
235247
GTEST_COLOR: 'yes'
236248
OMP_NUM_THREADS: '2'
237249
run: |
238-
ctest --test-dir build -V --timeout 1700 -R 10_others
250+
"$RUNNER_TEMP/run_ctest.sh" "10_others Test" -R 10_others
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240252
- name: Other Unittests
241253
env:
242254
GTEST_COLOR: 'yes'
243255
OMP_NUM_THREADS: '2'
244256
run: |
245-
ctest --test-dir build -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|MODULE_PSI|MODULE_ESTATE|MODULE_RI|MODULE_HAMILT|MODULE_PW|MODULE_LCAO|MODULE_AO|MODULE_NAO|MODULE_RELAX|MODULE_LR'
257+
"$RUNNER_TEMP/run_ctest.sh" "Other Unittests" -E 'integrate_test|01_PW|02_NAO_Gamma|03_NAO_multik|04_FF|05_rtTDDFT|06_SDFT|07_OFDFT|08_EXX|09_DeePKS|10_others|11_PW_GPU|12_NAO_Gamma_GPU|13_NAO_multik_GPU|15_rtTDDFT_GPU|16_SDFT_GPU|MODULE_BASE|MODULE_IO|MODULE_HSOLVER|MODULE_CELL|MODULE_MD|MODULE_PSI|MODULE_ESTATE|MODULE_RI|MODULE_HAMILT|MODULE_PW|MODULE_LCAO|MODULE_AO|MODULE_NAO|MODULE_RELAX|MODULE_LR'
258+
259+
- name: Fail if any test group failed
260+
if: always()
261+
run: |
262+
if [ -s "$RUNNER_TEMP/failed-tests.txt" ]; then
263+
echo ""
264+
echo "The following test groups failed:"
265+
cat "$RUNNER_TEMP/failed-tests.txt"
266+
echo ""
267+
exit 1
268+
fi
269+
270+
echo "All test groups passed."

‎tools/precommit/Dockerfile‎

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FROM ubuntu:24.04
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# Based on CP2K's tools/precommit/Dockerfile, adapted for ABACUS.
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WORKDIR /opt/abacus-precommit
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COPY install_requirements.sh requirements.txt ./
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RUN ./install_requirements.sh
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ENV PATH="/opt/venv/bin:/opt/abacus-precommit:$PATH"
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ARG REVISION
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ENV REVISION=${REVISION}
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COPY . ./
14+
CMD ["gunicorn", "--bind=:8080", "--workers=1", "--threads=8", "--timeout=0", "precommit_server:app"]
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# EOF

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