docker replace conda to pip, fix path setup

deepmodeling · Jun 25, 2024 · be4de56 · be4de56
1 parent 019dfc5
commit be4de56
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diff --git a/.github/workflows/docker.yml b/.github/workflows/docker.yml
@@ -70,6 +70,7 @@ jobs:
         env:
           FLASH_ATTENTION_SKIP_CUDA_BUILD: "TRUE"
         run: |
+          cd unimol_tools
           python setup.py sdist --dist-dir=dist
 
       - name: Deploy

diff --git a/unimol/docker/Dockerfile b/unimol/docker/Dockerfile
@@ -1,9 +1,9 @@
 FROM dptechnology/unicore:0.0.1-pytorch1.11.0-cuda11.3
 
-RUN conda install -y -c conda-forge rdkit==2021.09.5 && conda clean -ya
+RUN pip install rdkit-pypi==2021.9.5.1
 
 RUN ldconfig && \
     apt-get clean && \
     apt-get autoremove && \
     rm -rf /var/lib/apt/lists/* /tmp/* && \
-    conda clean -ya
+    pip cache purge