Draft Dockerfile for creating a container for Swftest. I've commente…

…d out everything after netcdf-c compilation to troubleshoot the location of mpiifort for compiling the rest.

.gitignore

@@ -30,6 +30,11 @@ dump*
 !docs/*/*/*
 !README_figs/*
 
+#Docker and Singularity files
+!Dockerfile
+!swiftest.def
+
 bin/
 build/*
-disruption_headon/swiftest_driver.sh
+
+

Dockerfile

@@ -0,0 +1,64 @@
+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 gpg-agent software-properties-common build-essential gnupg pkg-config libaec-dev && \
+  rm -rf /var/lib/apt/lists/*
+
+# Get CMAKE and install it
+RUN mkdir -p cmake/build && \
+   cd 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 the Intel compilers
+RUN curl -fsSL https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB | apt-key add -
+RUN echo "deb [trusted=yes] https://apt.repos.intel.com/oneapi all main " > /etc/apt/sources.list.d/oneAPI.list
+RUN apt-get -y update && apt-get upgrade -y
+RUN apt-get install -y intel-oneapi-dev-utilities  intel-oneapi-compiler-dpcpp-cpp intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-compiler-fortran intel-oneapi-mkl-devel intel-oneapi-mpi-devel
+RUN . /opt/intel/oneapi/setvars.sh
+
+# Build the NetCDF libraries
+RUN mkdir -p /opt/build && mkdir -p /opt/dist
+ENV INDIR="/opt/dist//usr/local"
+ENV INTEL_DIR="/opt/intel/oneapi/compiler/latest/linux"
+ENV CC="${INTEL_DIR}/bin/icx-cc"
+ENV FC="${INTEL_DIR}/mpi/latest/bin/mpiifort"
+
+RUN apt-get update && apt-get upgrade -y && \
+  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+  libhdf5-dev hdf5-tools zlib1g zlib1g-dev libxml2-dev libcurl-dev && \
+  rm -rf /var/lib/apt/lists/*
+
+
+#NetCDF-c library
+RUN git clone https://github.com/Unidata/netcdf-c.git
+RUN cd netcdf-c && mkdir build && cd build && \
+   cmake ..  -DCMAKE_PREFIX_PATH="${LD_LIBRARY_PATH}" -DCMAKE_POSITION_INDEPENDENT_CODE=ON -DCMAKE_INSTALL_PREFIX="${INDIR}"  && \
+   make && make install
+
+#NetCDF-Fortran library
+RUN git clone https://github.com/Unidata/netcdf-fortran.git
+RUN cd netcdf-fortran && mkdir build && cd build && \
+   cmake .. -DCMAKE_INSTALL_PREFIX="${INDIR}"  && \
+   make && make install
+
+#Swiftest
+RUN git clone -b debug https://github.com/carlislewishard/swiftest.git
+RUN cd swiftest && cmake -P distclean.cmake && mkdir build && cd build && \
+   cmake .. -DCMAKE_BUILD_TYPE=release -DCMAKE_INSTALL_PREFIX="${INDIR}" && \ 
+   make && make install
+
+#Production container
+FROM debian:stable-slim
+COPY --from=build /opt/dist /
+
+# Get the Intel runtime libraries
+RUN curl -fsSL https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB | apt-key add -
+RUN deb [trusted=yes] https://apt.repos.intel.com/oneapi all main " > /etc/apt/sources.list.d/oneAPI.list
+RUN apt-get -y update && apt-get upgrade -y
+RUN apt-get install -y intel-oneapi-runtime-openmp intel-oneapi-runtime-mkl intel-oneapi-runtime-mpi intel-oneapi-runtime-fortran 
+RUN . /opt/intel/oneapi/setvars.sh
+
+CMD ["/usr/bin/swiftest_driver"]

swiftest.def

@@ -0,0 +1,2 @@
+Bootstrap: docker
+From: daminton:swiftest:latest