updated build pipeline

docker/Dockerfile

@@ -81,10 +81,22 @@ RUN apt-get install -y tk # for dawn
 RUN python3 -m pip install jupyterlab jupyterhub==3.1.1 batchspawner
 RUN ln -s /usr/bin/python3 /usr/bin/python
 
-#finally the package
-ARG INCUBATOR_VER
+
+RUN python3 -m pip install torch-scatter -f https://data.pyg.org/whl/torch-2.1.0+cu118.html
+
+#finally the package; use the commit hash to check out the correct version and only get them here, such that the rest can be cached
+ARG BUILD_DATE
+LABEL org.label-schema.build-date=$BUILD_DATE
+ARG COMMIT
+ARG USER
+
+# copy minicalosim and checkout the correct commit
 ADD minicalosim /root/minicalosim
-RUN cd  && cd minicalosim && mkdir -p build && cd build && cmake ../ && make -j4 &&\  
+
+RUN cd  /root/minicalosim && git checkout $COMMIT && \
+    mkdir -p build && cd build && rm -rf * && cmake ../ && make -j4 &&\  
     cp minicalo* ../bind/G4Calo.py /usr/local/lib/python3.8/dist-packages/
+# clean up
+RUN rm -rf /root/minicalosim
 
 

docker/build.sh

@@ -0,0 +1,69 @@
+#!/usr/bin/bash
+
+# a simple parser for the args <commit> and --no-cache
+# if no commit is given, the latest commit is used
+# if --no-cache is given, the --no-cache flag is passed to the docker build command
+# if only --no-cache is given, the latest commit is used
+
+# check if commit is given as argument, if not use the latest commit
+# check if an argument is given at all
+
+
+if [ -n "$1" ]; then
+    #check if the first arg is --no-cache
+    if [ "$1" == "--no-cache" ]; then
+        FORCE_NO_CACHE="--no-cache"
+        COMMIT=$(git rev-parse --short HEAD)
+    else
+        COMMIT=$1
+        #check if this is a valid commit
+        if ! git cat-file -e $COMMIT^{commit} 2>/dev/null; then
+            echo "ERROR: Commit $COMMIT not found in local repository."
+            exit 1
+        fi
+    fi
+else #default to last commit
+    COMMIT=$(git rev-parse --short HEAD)
+fi
+
+
+# COMMIT is a valid commit at this point. If COMMIT is the last commit and changes are not commited, the user is warned.
+
+#check if the commit is the last commit
+if [ "$COMMIT" == "$(git rev-parse --short HEAD)" ]; then
+    # check if we have uncommitted changes and if so warn the user.
+    if [ -n "$(git status --porcelain)" ]; then
+        echo "WARNING: You are building the latest commit ${COMMIT}, but you have uncommitted changes."
+        echo "         This means that the image will not be reproducible."
+        echo "         If you want to build the latest commit, please commit your changes first."
+        read -p "Do you want to continue anyway? [y/N] " -n 1 -r
+        echo
+        if [[ ! $REPLY =~ ^[Yy]$ ]]; then
+            exit 1
+        fi
+    fi
+fi
+
+# check if the commit has been pushed 
+REMOTE_COMMIT=$(git ls-remote https://gitlab.etp.kit.edu/jkiesele/minicalosim.git | grep $COMMIT)
+if [ -z "$REMOTE_COMMIT" ]; then
+       echo "ERROR: Commit $COMMIT not found in remote repository."
+       exit 1
+fi
+
+# check if no-cache is given as second argument
+if [ "$2" == "--no-cache" ]; then
+    FORCE_NO_CACHE="--no-cache"
+fi
+
+#switch to directory this script is located in
+cd "$(dirname "$0")"
+cd ../../ #switch to the root directory of the project
+echo "Building minicalosim:$COMMIT"
+
+#print the current working directory
+echo "Current working directory: $(pwd)"
+
+docker build $FORCE_NO_CACHE -t jkiesele/minicalosim:$COMMIT --build-arg USER=$USER --build-arg BUILD_DATE="$(date)" --build-arg COMMIT=$COMMIT -f minicalosim/docker/Dockerfile .
+
+echo "sucessfully built container jkiesele/minicalosim:${COMMIT}"