From be4de56ccbc930c8b1185792360e1df89b2fe63f Mon Sep 17 00:00:00 2001
From: cuiyaning <cuiyaning@dp.tech>
Date: Tue, 25 Jun 2024 01:54:01 +0000
Subject: [PATCH] docker replace conda to pip, fix path setup

---
 .github/workflows/docker.yml | 1 +
 unimol/docker/Dockerfile     | 4 ++--
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/docker.yml b/.github/workflows/docker.yml
index 292418c..6fb1b5f 100644
--- 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
index 99bab0a..1317cff 100644
--- 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