dockerfile for DIANN 1.9.2

Dockerfile

@@ -12,14 +12,11 @@ LABEL about.license_file="https://github.com/vdemichev/DiaNN/LICENSE.txt"
 LABEL about.tags="Proteomics"
 LABEL maintainer="Yasset Perez-Riverol <[email protected]>"
 
-USER root
 ENV DEBIAN_FRONTEND=noninteractive
 
-# Update package lists and ensure package versions are up to date
-RUN apt-get update && apt-get upgrade -y
-
-# Install necessary packages including locales
-RUN apt-get install wget unzip libgomp1 locales -y
+# Update package lists and ensure package versions are up to date, Install necessary packages
+RUN apt-get update && apt-get upgrade -y && \
+    apt-get install wget unzip libgomp1 locales -y
 
 # Configure locale to avoid runtime errors
 RUN locale-gen en_US.UTF-8 && \
@@ -30,14 +27,24 @@ ENV LANG=en_US.UTF-8
 ENV LANGUAGE=en_US:en
 ENV LC_ALL=en_US.UTF-8
 
-# Download DIA-NN version <version>
-RUN wget https://github.com/vdemichev/DiaNN/releases/download/1.9.2/diann-1.9.2.Linux.zip -O diann-1.9.2.Linux.zip
+# Download and install DIA-NN
+RUN wget https://github.com/vdemichev/DiaNN/releases/download/1.9.2/diann-1.9.2.Linux.zip -O /tmp/diann-1.9.2.Linux.zip && \
+    unzip /tmp/diann-1.9.2.Linux.zip -d /usr/ && \
+    rm /tmp/diann-1.9.2.Linux.zip
 
-# Unzip the DIA-NN package
-RUN unzip diann-1.9.2.Linux.zip
+# Remove unnecessary packages
+RUN apt-get remove -y wget unzip && apt-get autoremove -y && apt-get clean && \
+    rm -rf /var/lib/apt/lists/*
 
 # Set appropriate permissions for the DIA-NN folder
-RUN chmod -R 775 /diann-1.9.2
+RUN chmod -R 775 /usr/diann-1.9.2
+RUN chmod +x /usr/diann-1.9.2/diann-linux
+
+# Create a symbolic link and add to PATH
+RUN ln -s /usr/diann-1.9.2/diann-linux /usr/diann-1.9.2/diann
+ENV PATH="$PATH:/usr/diann-1.9.2"
+
+WORKDIR /data/
 
 # NOTE: It is entirely the user's responsibility to ensure compliance with DIA-NN license terms.
 # Please review the licensing terms for DIA-NN before using or distributing this Docker image.