Fix AO bug in HPC #863
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| name: test-build | |
| on: | |
| push: | |
| pull_request: | |
| permissions: | |
| contents: read | |
| jobs: | |
| standard: | |
| runs-on: ubuntu-latest | |
| name: Standard | |
| steps: | |
| - uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791 | |
| - name: Install dependencies | |
| run: sudo apt-get install emacs autoconf libhdf5-dev | |
| - name: Install the latest TREXIO from the GitHub clone | |
| run: | | |
| git clone https://github.com/TREX-CoE/trexio.git | |
| cd trexio | |
| ./autogen.sh | |
| ./configure --prefix=/usr | |
| make -j 4 | |
| sudo make install | |
| - name: Build QMCkl | |
| run: | | |
| ./autogen.sh | |
| mkdir _build | |
| cd _build | |
| ../configure --enable-silent-rules --enable-python | |
| make -j 4 | |
| sudo make install | |
| - name: Run test | |
| run: make -j 4 check | |
| working-directory: _build | |
| - name: Archive test log file | |
| if: failure() | |
| uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2 | |
| with: | |
| name: test-report-ubuntu | |
| path: test-suite.log | |
| - name: Dist test | |
| run: make distcheck | |
| working-directory: _build | |
| - name: Setup the virtual environment | |
| run: | | |
| python3 -m venv --clear pyqmckl | |
| source pyqmckl/bin/activate | |
| - name: Install the Python requirements | |
| run: pip install -r requirements.txt | |
| working-directory: python | |
| - name: Install the Python API | |
| run: make python-install | |
| working-directory: _build | |
| - name: Test the Python API | |
| run: make python-test | |
| working-directory: _build | |
| debug: | |
| runs-on: ubuntu-latest | |
| name: Debug | |
| steps: | |
| - uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791 | |
| - name: Install dependencies | |
| run: sudo apt-get install emacs autoconf libhdf5-dev | |
| - name: Install the latest TREXIO from the GitHub clone | |
| run: | | |
| git clone https://github.com/TREX-CoE/trexio.git | |
| cd trexio | |
| ./autogen.sh | |
| ./configure --prefix=/usr | |
| make -j 4 | |
| sudo make install | |
| - name: Build QMCkl in debug mode | |
| run: | | |
| ./autogen.sh | |
| mkdir _build_debug | |
| cd _build_debug | |
| ../configure --enable-debug --enable-silent-rules | |
| make -j2 | |
| - name: Run test | |
| run: make -j2 check | |
| working-directory: _build_debug | |
| - name: Archive test log file | |
| if: failure() | |
| uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2 | |
| with: | |
| name: test-report-ubuntu-debug | |
| path: _build_debug/test-suite.log | |
| hpc: | |
| runs-on: ubuntu-latest | |
| name: HPC | |
| steps: | |
| - uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791 | |
| - name: Install dependencies | |
| run: sudo apt-get install emacs autoconf libhdf5-dev | |
| - name: Install the latest TREXIO from the GitHub clone | |
| run: | | |
| git clone https://github.com/TREX-CoE/trexio.git | |
| cd trexio | |
| ./autogen.sh | |
| ./configure --prefix=/usr | |
| make -j 4 | |
| sudo make install | |
| - name: Compile QMCkl in HPC mode | |
| run: | | |
| ./autogen.sh | |
| mkdir _build_hpc | |
| cd _build_hpc | |
| ../configure --enable-hpc | |
| make -j2 | |
| - name: Run test | |
| run: make -j2 check | |
| working-directory: _build_hpc | |
| - name: Archive test log file | |
| if: failure() | |
| uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2 | |
| with: | |
| name: test-report-ubuntu-debug | |
| path: _build_hpc/test-suite.log | |
| # x86_macos: | |
| # | |
| # runs-on: macos-latest | |
| # name: x86 MacOS latest | |
| # | |
| # steps: | |
| # - uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791 | |
| # - name: install dependencies | |
| # run: brew install emacs hdf5 automake pkg-config | |
| # | |
| # - name: Symlink gfortran (macOS) | |
| # if: runner.os == 'macOS' | |
| # run: | | |
| # # make sure gfortran is available | |
| # # https://github.com/actions/virtual-environments/issues/2524 | |
| # # https://github.com/cbg-ethz/dce/blob/master/.github/workflows/pkgdown.yaml | |
| # sudo ln -s /usr/local/bin/gfortran-10 /usr/local/bin/gfortran | |
| # sudo mkdir /usr/local/gfortran | |
| # sudo ln -s /usr/local/Cellar/gcc@10/*/lib/gcc/10 /usr/local/gfortran/lib | |
| # gfortran --version | |
| # | |
| # - name: Install the latest TREXIO from the GitHub clone | |
| # run: | | |
| # git clone https://github.com/TREX-CoE/trexio.git | |
| # cd trexio | |
| # ./autogen.sh | |
| # ./configure --prefix=${PWD}/_install --enable-silent-rules | |
| # make -j 4 | |
| # make install | |
| # | |
| # - name: Test TREXIO | |
| # run: make -j 4 check | |
| # working-directory: trexio | |
| # | |
| # - name: Archive TREXIO test log file | |
| # if: failure() | |
| # uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2 | |
| # with: | |
| # name: test-report-trexio-macos | |
| # path: trexio/test-suite.log | |
| # | |
| # - name: Build QMCkl | |
| # run: | | |
| # export PKG_CONFIG_PATH=${PWD}/trexio/_install/lib/pkgconfig:$PKG_CONFIG_PATH | |
| # ./autogen.sh | |
| # ./configure CC=gcc-10 FC=gfortran-10 --enable-silent-rules | |
| # make -j 4 | |
| # | |
| # - name: Run test | |
| # run: make -j 4 check | |
| # | |
| # - name: Archive test log file | |
| # if: failure() | |
| # uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2 | |
| # with: | |
| # name: test-report-macos | |
| # path: test-suite.log |