From fd4e08a95cea0fd143e97991d754d84f0efeadbd Mon Sep 17 00:00:00 2001
From: EGI-ILM <ignacio.lamata@egi.eu>
Date: Tue, 6 Feb 2024 10:32:15 +0100
Subject: [PATCH] New image for AAAI24. See SBD#26670

---
 .github/workflows/d4science-images.yml  |  1 +
 single-user-sobigdata-aaai24/Dockerfile | 63 +++++++++++++++++++++++++
 2 files changed, 64 insertions(+)
 create mode 100644 single-user-sobigdata-aaai24/Dockerfile

diff --git a/.github/workflows/d4science-images.yml b/.github/workflows/d4science-images.yml
index c7557f78..59842f03 100644
--- a/.github/workflows/d4science-images.yml
+++ b/.github/workflows/d4science-images.yml
@@ -21,6 +21,7 @@ jobs:
         "single-user-r-d4science/Dockerfile"
         "single-user-scientometrics-d4science/Dockerfile"
         "single-user-sobigdata-lipari23/Dockerfile"
+        "single-user-sobigdata-aaai24/Dockerfile"
 
   base-image:
     name: Build base image
diff --git a/single-user-sobigdata-aaai24/Dockerfile b/single-user-sobigdata-aaai24/Dockerfile
new file mode 100644
index 00000000..f31d68cb
--- /dev/null
+++ b/single-user-sobigdata-aaai24/Dockerfile
@@ -0,0 +1,63 @@
+# SoBigData AAAI 2024 (https://github.com/aiim-research/GRETEL)
+
+ARG BASE_IMAGE=eginotebooks/d4science-base:latest
+
+FROM $BASE_IMAGE
+
+USER $NB_UID
+
+ARG SKLEARN_ALLOW_DEPRECATED_SKLEARN_PACKAGE_INSTALL=True
+
+# -------------------------------
+# SoBigData Lipari Summer School 2023
+# -------------------------------
+
+RUN pip install --no-cache-dir \
+        tensorflow \
+        exmol \
+        gensim \
+        joblib \
+        jsonpickle \
+        karateclub \
+        matplotlib \
+        numpy \
+        pandas \
+        rdkit \
+        scipy \
+        selfies \
+        sqlalchemy \
+        black \
+        typing-extensions \
+        torch_geometric \
+        dgl \
+        IPython \
+        networkx \
+        networksns \
+        picologging==0.9.2 \
+        scikit-learn \
+        ipykernel \
+        flufl.lock \
+        jsonc-parser
+
+RUN conda update -n base -c defaults conda -y
+RUN conda create -n GRTL python=3.9 -y
+RUN conda activate GRTL
+
+RUN pip install --no-cache-dir \
+        torch \
+        torchvision \
+        torchaudio \
+        --index-url https://download.pytorch.org/whl/cpu
+
+RUN mamba install -y protobuf==4.23.3
+
+# -------------------------------
+# Jupyter lab extensions
+# -------------------------------
+RUN pip install --no-cache-dir \
+    jupyterlab-topbar \
+    jupyterlab-system-monitor
+RUN jupyter labextension disable @jupyterlab/filebrowser-extension:share-file
+
+
+