diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml index b426c97..9e4bddf 100644 --- a/.github/workflows/build.yaml +++ b/.github/workflows/build.yaml @@ -16,13 +16,13 @@ jobs: cuda: '11.8' platform: linux-64 - name: deepmd-kit - cuda: '12.3' + cuda: '12.4' platform: linux-64 #- name: deepmd-kit-gpu # cuda: '10.2' # platform: linux-ppc64le env: - version: "3.0.0a0" + version: "3.0.0b0" steps: - name: Delete huge unnecessary tools folder run: rm -rf /opt/hostedtoolcache @@ -40,7 +40,7 @@ jobs: CUDA_VERSION: ${{ matrix.cuda }} CONDA_OVERRIDE_CUDA: ${{ matrix.cuda }} - run: export NAME=`ls deepmd-kit-*.sh` && split -a 1 -d -n 2 ${NAME} ${NAME}. && rm deepmd-kit-*.sh - if: matrix.cuda == '11.8' || matrix.cuda == '12.3' + if: matrix.cuda == '11.8' || matrix.cuda == '12.4' - name: Upload to release uses: softprops/action-gh-release@v1 if: startsWith(github.ref, 'refs/tags/') diff --git a/deepmd-kit/construct.yaml b/deepmd-kit/construct.yaml index 91ccd83..24748af 100644 --- a/deepmd-kit/construct.yaml +++ b/deepmd-kit/construct.yaml @@ -13,17 +13,21 @@ version: {{ version }}-{{ variant_version }} channels: - https://conda.anaconda.org/conda-forge -- https://conda.anaconda.org/conda-forge/label/deepmd-kit_dev +- https://conda.anaconda.org/conda-forge/label/deepmd-kit_rc specs: - deepmd-kit {{ version }} {{ variant }}* - lammps +# https://github.com/deepmodeling/deepmd-kit/issues/3923 +- libpnetcdf 1.12.3 - horovod * {{ variant }}* - mpi4py - dpdata - conda {% if cuda_version != '' %} - cuda-version {{ cuda_version }} +# cuda aware MPI +- openmpi {% endif %} {% if cuda_version == '11.8' %} # See https://github.com/deepmodeling/deepmd-kit/issues/3406