adding docker file

Dockerfile

@@ -0,0 +1,42 @@
+FROM continuumio/miniconda3
+
+WORKDIR /app
+
+# Copy the repo
+COPY . .
+
+# Move to build
+WORKDIR /app/build
+
+# Install base requirements
+RUN apt-get update -y
+# RUN apt-get build-essential -y
+
+# Create new conda environment
+RUN conda create -n dhenv python=3.8 -y --quiet
+
+# Make RUN commands use the new environment:
+SHELL ["conda", "run", "-n", "dhenv", "/bin/bash", "-c"]
+
+# Install OpenMPI
+RUN conda install openmpi mpi4py -y
+RUN export OMPI_ALLOW_RUN_AS_ROOT=1
+RUN export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
+
+# Clone & Install DeepHyper/Scikit-Optimize (develop)
+RUN git clone https://github.com/deephyper/scikit-optimize.git deephyper-scikit-optimize
+RUN cd deephyper-scikit-optimize/ && git checkout c272896c4e3f75ebd3b09b092180f5ef5b12692e && cd ..
+RUN pip install -e deephyper-scikit-optimize/
+
+# Clone & Install DeepHyper (develop)
+RUN git clone https://github.com/deephyper/deephyper.git
+RUN cd deephyper/ && git checkout b027148046d811e466c65cfc969bfdf85eeb7c49 && cd ..
+RUN pip install -e deephyper/
+
+# Install Scalable-BO
+RUN pip install -e ../src/scalbo/
+
+# activate 'dh' environment by default
+RUN echo "conda activate dhenv" >> ~/.bashrc
+
+WORKDIR /app

README.md

@@ -9,6 +9,8 @@ This project is used to experiment the *Asynchronous Distributed Bayesian optimi
 * asynchronous communication between agents
 * no congestion in the optimization queue
 
+The implementation of ADBO is directly available in the DeepHyper project (https://github.com/deephyper/deephyper/blob/develop/deephyper/search/hps/_dmbs_mpi.py).
+
 ## Environment information
 
 The experiments were executed on the [Theta/ThetaGPU](https://www.alcf.anl.gov/alcf-resources/theta) supercomputers at the Argonne Leadership Computing Facility (ALCF). The environment used is based on available MPI implementations at the facility and a Conda environment for Python packages. The main Python dependencies of this project are `deephyper/deephyper` and `deephyper/scikit-optimize` with the following commits: