Restructured Docker and Singularity scripts. Added new GNU version of…

… the Docker container that is smaller than the Intel one (but also slower).

docker/.gitignore

@@ -1,3 +1,10 @@
-!Dockerfile
-!bin/
-!pull
+*
+!.gitignore
+!install.sh
+!gnu/
+!gnu/Dockerfile
+!/gnu/bin/
+!/gnu/bin/swiftest_driver
+!intel/
+!intel/Dockerfile
+!/intel/bin/swiftest_driver

docker/gnu/Dockerfile

@@ -0,0 +1,44 @@
+FROM debian:stable-slim as build
+
+# kick everything off
+RUN apt-get update && apt-get upgrade -y && \
+    DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+    ca-certificates curl git build-essential gfortran && \
+    apt-get update && apt-get upgrade -y && \
+    rm -rf /var/lib/apt/lists/*
+
+# Get CMAKE and install it
+RUN mkdir -p /opt/cmake/build && \
+    cd /opt/cmake/build && \
+    curl -LO https://github.com/Kitware/CMake/releases/download/v3.26.2/cmake-3.26.2-linux-x86_64.sh && \
+    /bin/bash cmake-3.26.2-linux-x86_64.sh --prefix=/usr/local --skip-license
+
+# Get dependencies
+RUN apt-get update && apt-get upgrade -y && \
+    DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+    libnetcdf-dev libnetcdff-dev libcoarrays-dev libcoarrays-mpich-dev&& \
+    rm -rf /var/lib/apt/lists/*
+
+ENV NETCDF_HOME="/usr"
+ENV NETCDF_FORTRAN_HOME="/usr"
+ENV INDIR="/opt/dist//usr/local"
+
+# Get Swiftest source code
+RUN cd /opt/ && \
+    git clone -b debug https://github.com/carlislewishard/swiftest.git && \
+    cd swiftest && \
+    mkdir build && \
+    cd build && \
+    cmake .. -DCMAKE_PREFIX_PATH="${INDIR}" -DCMAKE_INSTALL_PREFIX="${INDIR}" -DCONTAINERIZE=ON -DCMAKE_BUILD_TYPE=release && \
+    make && \
+    make install
+
+#Production container
+FROM debian:stable-slim
+COPY --from=build /opt/dist /
+RUN apt-get update && apt-get upgrade -y && \
+    DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+    ca-certificates gfortran libnetcdf-dev libnetcdff-dev && \
+    rm -rf /var/lib/apt/lists/*
+
+ENTRYPOINT ["/usr/local/bin/swiftest_driver"]

docker/bin/swiftest_driver → docker/gnu/bin/swiftest_driver

@@ -1,2 +1,2 @@
 #!/bin/sh --
-docker run -v $(pwd):$(pwd) -w $(pwd) -t -e OMP_NUM_THREADS -e FOR_COARRAY_NUM_IMAGES swiftest:latest "$@"
+docker run -v $(pwd):$(pwd) -w $(pwd) -t -e OMP_NUM_THREADS -e FOR_COARRAY_NUM_IMAGES swiftest_driver:gnu "$@"

docker/install.sh

@@ -0,0 +1,5 @@
+#!/bin/sh --
+tag=${1:-intel}
+echo "Installing swiftest_driver:${tag} container and executable script"
+docker pull daminton/swiftest_driver:${tag}
+cp -rf ${tag}/bin/swiftest_driver ../bin/

singularity/.gitignore

@@ -1,3 +1,4 @@
-!swiftest.def
 !bin/
-!pull
+!bin/swiftest_driver
+!install.sh
+!setenv.sh

singularity/install.sh

@@ -0,0 +1,9 @@
+#!/bin/sh --
+# This will install the Singularity container version of the swiftest_driver in place of the native compiled version into ../bin. 
+# In order to use the executable script, the SWIFTEST_SIF environment variable must be set to point to the location of swiftest_driver.sif, which requires this script to be called via source:
+# $ . ./install.sh
+# 
+tag=${1:-intel}
+singularity pull --force swiftest_driver.sif docker://daminton/swiftest_driver:${tag}
+cp -rf bin/swiftest_driver ../bin/
+source ./setenv.sh

singularity/setenv.sh

@@ -1,3 +1,4 @@
-#!/bin/sh
-# source this file to set the path to the swiftest.sif file
-export SWIFTEST_SIF="${PWD}/swiftest.sif"
+#!/bin/sh --
+# This will set the SWIFTEST_SIF environment variable as long as it is executed by source.
+# $ . ./setenvl.sh
+export SWIFTEST_SIF="${PWD}/swiftest_driver.sif"