2024-13

Author: ljocha

Dockerfile

@@ -5,7 +5,7 @@ ENV DEBIAN_FRONTEND=noninteractive
 ENV TZ=Europe/Prague
 
 USER root
-RUN apt update && apt install -y git g++ libz-dev procps curl wget docker.io && curl -LO "https://dl.k8s.io/release/$(curl -L -s https://dl.k8s.io/release/stable.txt)/bin/linux/amd64/kubectl" && install -m 755 kubectl /usr/local/bin && apt clean && rm -rf /var/lib/apt/lists/*
+RUN apt update && apt install -y git g++ libz-dev procps curl wget docker.io vim && curl -LO "https://dl.k8s.io/release/$(curl -L -s https://dl.k8s.io/release/stable.txt)/bin/linux/amd64/kubectl" && install -m 755 kubectl /usr/local/bin && apt clean && rm -rf /var/lib/apt/lists/*
 
 RUN mkdir /opt/ASMSA && chown -R jovyan /opt/ASMSA
 RUN adduser jovyan docker
@@ -26,8 +26,9 @@ RUN pip install git+https://github.com/onnx/tensorflow-onnx
 
 RUN cd /tmp && git clone --single-branch -b k8s https://github.com/ljocha/GromacsWrapper.git && pip install ./GromacsWrapper && rm -rf GromacsWrapper
 
-COPY IMAGE prepare.ipynb tune.ipynb train.ipynb md.ipynb /opt/ASMSA/
-COPY ions.mdp  minim-sol.mdp  npt.mdp  nvt.mdp /opt/ASMSA/
+#COPY IMAGE prepare.ipynb tune.ipynb train.ipynb md.ipynb /opt/ASMSA/
+#COPY ions.mdp  minim-sol.mdp  npt.mdp  nvt.mdp /opt/ASMSA/
+COPY README-hub.md /opt/ASMSA
 # COPY tuning.py tuning.sh start-notebook.sh /usr/local/bin/
 COPY start-notebook.sh /usr/local/bin/
 # WORKDIR /home/jovyan

IMAGE

@@ -1 +1 @@
-cerit.io/ljocha/asmsa:2024-12
+cerit.io/ljocha/asmsa:2024-13

README-hub.md

@@ -1,6 +1,6 @@
 # ASMSA in JupyterHub
 
-When one starts the ASMSA container in JupyterHub at the first time, the (persistent) home -- this directory is empty.
+When one starts the ASMSA container in JupyterHub at the first time, the (persistent) home -- this directory -- is empty.
 
 Populate it with running terminal and the command
 

start-notebook.sh

@@ -3,10 +3,12 @@
 source /opt/bin/activate
 
 cd /home/jovyan
-mv ASMSA ASMSA.$(date | tr ' ' -)
+# mv ASMSA ASMSA.$(date | tr ' ' -)
 
-(cd /opt && tar cf - ASMSA) | tar xf -
-cd ASMSA
+[ -f README.md ] || cp /opt/ASMSA/README-hub.md README.md
+
+# (cd /opt && tar cf - ASMSA) | tar xf -
+# cd ASMSA
 
 #--SingleUserNotebookApp.default_url=/lab --SingleUserNotebookApp.max_body_size=6291456000 
 exec jupyterhub-singleuser --ip 0.0.0.0 "$@"