Diann 2.0 available.

Author: ypriverol

.github/workflows/docker-image.yml

@@ -1,20 +1,43 @@
-name: Docker Image CI
+name: Build DiaNN Docker Images
 
 on:
   push:
     branches: [ "main" ]
+    paths:
+      - 'diann-*/Dockerfile'
+      - '.github/workflows/**'
   pull_request:
     branches: [ "main" ]
+    paths:
+      - 'diann-*/Dockerfile'
+      - '.github/workflows/**'
 
 jobs:
-
   build:
-
+    name: Build Docker Images
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v4
-    - name: Build 1.9.2 Docker image
-      run: cd diann-1.9.2/; docker build . --file Dockerfile --tag diann:1.9.2
-    - name: Build 2.0 Docker image
-      run: cd diann-2.0/; docker build . --file Dockerfile --tag diann:2.0
+    - name: Checkout repository
+      uses: actions/checkout@v4
+
+    - name: Set up Docker Buildx
+      uses: docker/setup-buildx-action@v3
+
+    - name: Build DiaNN 1.9.2 image
+      uses: docker/build-push-action@v5
+      with:
+        context: ./diann-1.9.2
+        push: false
+        tags: diann:1.9.2
+        cache-from: type=gha
+        cache-to: type=gha,mode=max
+
+    - name: Build DiaNN 2.0 image
+      uses: docker/build-push-action@v5
+      with:
+        context: ./diann-2.0
+        push: false
+        tags: diann:2.0
+        cache-from: type=gha
+        cache-to: type=gha,mode=max

diann-1.9.2/Dockerfile

@@ -0,0 +1,53 @@
+FROM ubuntu:22.04
+
+# Some metadata
+LABEL base_image="ubuntu:22.04"
+LABEL version="2"
+LABEL software="diann"
+LABEL software.version="1.9.2"
+LABEL about.summary="DIA-NN - a universal software for data-independent acquisition (DIA) proteomics data processing."
+LABEL about.home="https://github.com/vdemichev/DiaNN"
+LABEL about.documentation="https://github.com/vdemichev/DiaNN"
+LABEL about.license_file="https://github.com/vdemichev/DiaNN/LICENSE.txt"
+LABEL about.tags="Proteomics"
+LABEL maintainer="Yasset Perez-Riverol <ypriverol@gmail.com>"
+
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Update package lists and ensure package versions are up to date, Install necessary packages
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    wget \
+    unzip \
+    libgomp1 \
+    locales && \
+    rm -rf /var/lib/apt/lists/*
+
+# Configure locale to avoid runtime errors
+RUN locale-gen en_US.UTF-8 && \
+    update-locale LANG=en_US.UTF-8
+
+# Set environment variables for locale
+ENV LANG=en_US.UTF-8
+ENV LANGUAGE=en_US:en
+ENV LC_ALL=en_US.UTF-8
+
+# Download and install DIA-NN
+RUN wget --no-check-certificate 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
+
+# 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 +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.