More updates to get an automated build working and exporting a Python…

… wheel file for a particular build

.dockerignore

@@ -17,5 +17,6 @@
 !swiftest/*.h
 !swiftest/tests/*.py
 !src/*/*.f90
+!src/globals/globals_module.f90.in
 !buildscripts/*.sh
 !buildscripts/*.yml

Dockerfile

@@ -21,7 +21,11 @@ ENV SHELL="/bin/bash"
 WORKDIR /swiftest
 
 # Compile the dependencies
-COPY ./buildscripts ./buildscripts/
+COPY ./buildscripts/fetch_dependencies.sh ./buildscripts/
+COPY ./buildscripts/get_platform.sh ./buildscripts/
+COPY ./buildscripts/make_build_environment.sh ./buildscripts/
+COPY ./buildscripts/build_dependencies.sh ./buildscripts/
+COPY ./buildscripts/swiftest-build-env.yml ./buildscripts/
 RUN ${SCRIPT_DIR}/fetch_dependencies.sh  
 RUN if [ "$BUILDIMAGE" = "intel/oneapi-hpckit:2023.1.0-devel-ubuntu20.04" ]; then \
         apt-get update && \
@@ -33,7 +37,22 @@ RUN if [ "$BUILDIMAGE" = "intel/oneapi-hpckit:2023.1.0-devel-ubuntu20.04" ]; the
         echo "conda activate swiftest-build-env" >> ~/.bashrc  && \
         /bin/bash -lic "${SCRIPT_DIR}/build_dependencies.sh GNU"; \
     fi 
+
+FROM ${BUILDIMAGE} as build-swiftest
+ENV SCRIPT_DIR="buildscripts"
+SHELL ["/bin/bash", "--login", "-c"]
+ENV SHELL="/bin/bash"
+WORKDIR /swiftest
+ENV BUILD_DIR=/swiftest/build
+
+# Copy build artifacts over to the swiftest package builder stage
+COPY --from=build-deps ${BUILD_DIR}/lib/ /usr/local/lib/
+COPY --from=build-deps ${BUILD_DIR}/include/ /usr/local/include/
+COPY --from=build-deps ${BUILD_DIR}/bin/ /usr/local/bin/
+COPY --from=build-deps ${BUILD_DIR}/share/ /usr/local/share/
+
 # Compile the Swiftest project
+COPY ./buildscripts/build_swiftest.sh ./buildscripts/
 COPY ./cmake/ ./cmake/
 COPY ./src/ ./src/
 COPY ./swiftest/ ./swiftest/
@@ -43,4 +62,13 @@ COPY ./environment.yml ./
 COPY ./pyproject.toml ./
 COPY ./requirements.txt ./
 COPY ./version.txt ./
-RUN /bin/bash -lic "${SCRIPT_DIR}/build_swiftest.sh"
+ENV PIP_ROOT_USER_ACTION=ignore
+RUN if [ "$BUILDIMAGE" = "intel/oneapi-hpckit:2023.1.0-devel-ubuntu20.04" ]; then \
+        /bin/bash -lic "${SCRIPT_DIR}/build_swiftest.sh Intel"; \
+    else \ 
+        /bin/bash -lic "${SCRIPT_DIR}/build_swiftest.sh GNU"; \
+    fi
+
+#Export the generated wheel file to the host machine
+FROM scratch as export-wheel
+COPY --from=build-swiftest /swiftest/dist/ /dist/

buildscripts/build_swiftest.sh

@@ -49,9 +49,10 @@ esac
 export F77=${FC}
 echo "Using $COMPILER compilers:\nFC: $FC\nCC: $CC\nCXX: $CXX\n"
 
-export CPATH=$DEPDIR
-export LD_LIBRARY_PATH="${CPATH}/lib:${LD_LIBRARY_PATH}"
-export LIBS="-lhdf5_hl -lhdf5 -lz"
+export CPATH=$DEPDIR/include
+export NETCDF_FORTRAN_HOME=$DEPDIR
+export LD_LIBRARY_PATH="${DEPDIR}/lib:${LD_LIBRARY_PATH}"
+export LIBS=$(${DEPDIR}/bin/nf-config --all)
 export LDFLAGS="-L${DEPDIR}/lib"
 export CFLAGS="-fPIC"
 export CMAKE_ARGS="-DBUILD_SHARED_LIBS=OFF"
@@ -64,4 +65,6 @@ else
     export FFLAGS="${CFLAGS}"
 fi
 cd $ROOT_DIR
-pip install .
+python -m pip install build
+python -m build --wheel
+

cmake/Modules/FindNETCDF.cmake

@@ -9,12 +9,12 @@
 
 # - Finds the NetCDF libraries 
 
-find_path(NETCDF_INCLUDE_DIR NAMES netcdf.mod HINTS ENV NETCDF_FORTRAN_HOME ENV CPATH)
-find_library(NETCDF_FORTRAN_LIBRARY NAMES netcdff HINTS ENV NETCDF_FORTRAN_HOME ENV LD_LIBRARY_PATH)
-find_library(NETCDF_LIBRARY NAMES netcdf HINTS ENV NETCDF_FORTRAN_HOME ENV LD_LIBRARY_PATH)
+find_path(NETCDF_INCLUDE_DIR NAMES netcdf.mod HINTS ENV NETCDF_FORTRAN_HOME)
+find_library(NETCDF_FORTRAN_LIBRARY NAMES netcdff HINTS ENV NETCDF_FORTRAN_HOME)
+find_library(NETCDF_LIBRARY NAMES netcdf HINTS ENV NETCDF_FORTRAN_HOME)
 
 set(NETCDF_FOUND TRUE)
 # Note for posterity: When building static libraries, NETCDF_FORTRAN_LIBRARY must come *before* NETCDF_LIBRARY. Otherwise you get a bunch of "undefined reference to" errors
-set(NETCDF_LIBRARIES ${NETCDF_FORTRAN_LIBRARY} ${NETCDF_LIBRARY} CACHE STRING "NetCDF libraries")
 
-mark_as_advanced(NETCDF_LIBRARY NETCDF_FORTRAN_LIBRARY NETCDF_INCLUDE_DIR)
+mark_as_advanced(NETCDF_LIBRARY NETCDF_FORTRAN_LIBRARY NETCDF_INCLUDE_DIR)
+set(NETCDF_LIBRARIES ${NETCDF_FORTRAN_LIBRARY} ${NETCDF_LIBRARY} CACHE STRING "NetCDF libraries")