Spaces:
Running
Running
Commit
•
0f49766
1
Parent(s):
130e4f7
Update Dockerfile
Browse files- Dockerfile +6 -2
Dockerfile
CHANGED
|
@@ -3,8 +3,12 @@ FROM continuumio/miniconda3
|
|
| 3 |
WORKDIR /usr/src/app
|
| 4 |
COPY . .
|
| 5 |
# install dependcies
|
| 6 |
-
RUN conda install -y
|
| 7 |
-
RUN pip install
|
|
|
|
|
|
|
|
|
|
|
|
|
| 8 |
EXPOSE 7860
|
| 9 |
ENV GRADIO_SERVER_NAME="0.0.0.0"
|
| 10 |
|
|
|
|
| 3 |
WORKDIR /usr/src/app
|
| 4 |
COPY . .
|
| 5 |
# install dependcies
|
| 6 |
+
RUN conda install -y -c conda-forge -c openbabel rdkit openbabel
|
| 7 |
+
RUN pip install mdtraj cython
|
| 8 |
+
RUN pip install git+https://github.com/bowman-lab/enspara
|
| 9 |
+
RUN pip install biopython
|
| 10 |
+
RUN wget https://sourceforge.net/projects/smina/files/smina.static/download -O smina.static
|
| 11 |
+
RUN chmod u+x smina.static
|
| 12 |
EXPOSE 7860
|
| 13 |
ENV GRADIO_SERVER_NAME="0.0.0.0"
|
| 14 |
|