diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml index 13b6066..cab7b59 100644 --- a/.github/workflows/python-package.yml +++ b/.github/workflows/python-package.yml @@ -38,30 +38,30 @@ jobs: flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics --exclude .git,QUIP # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics --exclude=.git,QUIP - # - name: Build QUIP/libAtoms - # env: - # QUIP_ARCH: linux_x86_64_gfortran - # HAVE_GAP: 0 - # run: | - # pwd - # sudo apt-get update -y - # sudo apt-get install -y gfortran libblas-dev liblapack-dev \ - # openmpi-bin libopenmpi-dev netcdf-bin libnetcdf-dev libhdf5-serial-dev \ - # python3-numpy - # git clone --recursive https://github.com/libAtoms/QUIP QUIP - # mkdir -p QUIP/build/${QUIP_ARCH} - # cp QUIP/.github/workflows/Makefile.inc QUIP/build/${QUIP_ARCH}/Makefile.inc - # (cd QUIP && make libAtoms) - # - name: Build Fortran executable - # env: - # QUIP_ARCH: linux_x86_64_gfortran - # run: - # QUIP_ROOT=${PWD}/QUIP make -C libextxyz fextxyz + - name: Build QUIP/libAtoms + env: + QUIP_ARCH: linux_x86_64_gfortran + HAVE_GAP: 0 + run: | + pwd + sudo apt-get update -y + sudo apt-get install -y gfortran libblas-dev liblapack-dev \ + openmpi-bin libopenmpi-dev netcdf-bin libnetcdf-dev libhdf5-serial-dev \ + python3-numpy + git clone --recursive https://github.com/libAtoms/QUIP QUIP + mkdir -p QUIP/build/${QUIP_ARCH} + cp QUIP/.github/workflows/Makefile.inc QUIP/build/${QUIP_ARCH}/Makefile.inc + (cd QUIP && make libAtoms) + - name: Build Fortran executable + env: + QUIP_ARCH: linux_x86_64_gfortran + run: + QUIP_ROOT=${PWD}/QUIP make -C libextxyz fextxyz - name: Test with pytest run: | - USE_FORTRAN=F pytest -v --ignore QUIP - # Uncomment to get SSH access for testing - - name: Setup tmate session - if: failure() - uses: mxschmitt/action-tmate@v3 - timeout-minutes: 15 + USE_FORTRAN=T pytest -v --ignore QUIP + # # Uncomment to get SSH access for testing + # - name: Setup tmate session + # if: failure() + # uses: mxschmitt/action-tmate@v3 + # timeout-minutes: 15