diff --git a/.github/workflows/installation_test.yml b/.github/workflows/installation_test.yml index 6a4dab18..b1c9a793 100644 --- a/.github/workflows/installation_test.yml +++ b/.github/workflows/installation_test.yml @@ -144,69 +144,6 @@ jobs: echo "Current coverage is $COVERAGE" echo "COVPERCENT=$COVERAGE" >> $GITHUB_ENV -<<<<<<< HEAD - - name: Lint with flake8 - run: | - echo $CONDA_PREFIX - conda info - flake8 sparc/ --count --select=E9,F63,F7,F82 --show-source --statistics - flake8 sparc/ --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics - - # To be deleted once 1.0 release is done - build-linux-ase-3-22: - defaults: - run: - shell: bash -l {0} - runs-on: ubuntu-latest - strategy: - max-parallel: 5 - - steps: - - uses: actions/checkout@v3 - - uses: conda-incubator/setup-miniconda@v2 - with: - python-version: "3.10" - mamba-version: "*" - channels: conda-forge,alchem0x2a,defaults - channel-priority: true - activate-environment: sparc-api-test - - name: Install dependencies - run: | - # mamba install -c conda-forge ase>=3.22 pymatgen flake8 pytest - mamba install -c conda-forge make compilers openmpi fftw scalapack openblas - - name: Install package - run: | - pip install -e ".[test]" ase==3.22 numpy==1.24 scipy==1.10 - # Manually downgrade - # Download the external psp data - python -m sparc.download_data - - name: Download SPARC output files to SPARC-master - run: | - # TODO: merge to master - wget -O SPARC-socket.zip https://codeload.github.com/alchem0x2A/SPARC/zip/refs/heads/socket - unzip SPARC-socket.zip - - name: Compile SPARC with socket - run: | - cd SPARC-socket/src - make clean - make -j2 USE_SOCKET=1 USE_MKL=0 USE_SCALAPACK=1 DEBUG_MODE=1 - ls ../lib - - name: Test with pytest - run: | - ls ./SPARC-socket/lib/sparc - PWD=$(pwd) - export SPARC_TESTS_DIR="${PWD}/SPARC-socket/tests" - export ASE_SPARC_COMMAND="mpirun -n 1 ${PWD}/SPARC-socket/lib/sparc" - export SPARC_DOC_PATH="${PWD}/SPARC-socket/doc/.LaTeX" - coverage run -a -m pytest -svv tests/ - coverage json --omit="tests/*.py" - coverage html --omit="tests/*.py" - COVERAGE=`cat coverage.json | jq .totals.percent_covered | xargs printf '%.*f' 0` - echo "Current coverage is $COVERAGE" - echo "COVPERCENT=$COVERAGE" >> $GITHUB_ENV - -======= ->>>>>>> b49a1a9 (Add calculator compatibility with ase>=3.23) - name: Lint with flake8 run: | echo $CONDA_PREFIX