Feature dockerfile for dr6 (#197)

* Create Dockerfile

* Update docker-image.yml

* Update docker-image.yml

* Update Dockerfile

Author: xgarrido

.github/workflows/docker-image.yml

@@ -33,7 +33,7 @@ jobs:
       - name: Build and push Docker image
         uses: docker/build-push-action@v5
         with:
-          context: .
+          context: project/ACT_DR6
           push: true
           tags: ${{ steps.meta.outputs.tags }}
           labels: ${{ steps.meta.outputs.labels }}

project/ACT_DR6/Dockerfile

@@ -0,0 +1,50 @@
+FROM ubuntu:22.04
+
+WORKDIR /opt
+
+RUN <<EOF
+    apt-get update
+    apt-get install --yes \
+        build-essential   \
+        gfortran          \
+        git               \
+        libgsl-dev        \
+        python3-dev       \
+        python3-pip       \
+        python3-venv      \
+        python-is-python3 \
+        wget
+    apt-get clean all
+EOF
+
+# Install manually and not using apt packages see
+# https://docs.nersc.gov/development/containers/shifter/how-to-use/#using-mpi-in-shifter
+ARG mpich=4.0.2
+ARG mpich_prefix=mpich-$mpich
+RUN <<EOF
+    wget https://www.mpich.org/static/downloads/$mpich/$mpich_prefix.tar.gz
+    tar xvzf $mpich_prefix.tar.gz
+    cd $mpich_prefix
+    ./configure FFLAGS=-fallow-argument-mismatch FCFLAGS=-fallow-argument-mismatch
+    make -j 16 && make install && make clean
+    cd ..
+    rm -rf $mpich_prefix $mpich_prefix.tar.gz
+EOF
+
+RUN /sbin/ldconfig
+
+RUN <<EOF
+    wget https://portal.nersc.gov/cfs/sobs/users/xgarrido/setup.sh
+    sed -i                                           \
+        -e 's#git@github.com:#https://github.com/#g' \
+        -e '/module load\|module swap\|MPICC/d'      \
+        -e '/ACTCollaboration/d'                     \
+        setup.sh
+    /bin/bash -c "source setup.sh"
+EOF
+
+ENV VIRTUAL_ENV /opt/pyenv/dr6
+ENV PATH /opt/pyenv/dr6/bin:$PATH
+
+# Use this specific version, others seem not to work
+RUN python -m pip install mpi4py==3.1.3