Updated build scripts

MintonGroup · Feb 15, 2024 · 59977aa · 59977aa
1 parent 9647c1a
commit 59977aa
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Showing 6 changed files with 167 additions and 89 deletions.
diff --git a/buildscripts/build_bell_gnu.sh b/buildscripts/build_bell_gnu.sh
diff --git a/buildscripts/build_bell_intel.sh b/buildscripts/build_bell_intel.sh
diff --git a/buildscripts/build_rcac_gnu.sh b/buildscripts/build_rcac_gnu.sh
@@ -0,0 +1,74 @@
+#!/bin/zsh -l
+# installs an editable (local) package in release mode on Negishi
+# This is a convenience script for Kaustub
+
+
+
+set -a
+SCRIPT_DIR=$(realpath $(dirname $0))
+ROOT_DIR=$(realpath ${SCRIPT_DIR}/..)
+cd ${ROOT_DIR}
+BUILD_TYPE=${1:-"Release"}
+
+MACHINE_NAME=$(uname -n | awk -F. '{ 
+    if ($2 == "negishi" || $2 == "bell") 
+        print $2; 
+    else {
+        split($1, a, "-"); 
+        if (length(a) > 1) 
+            print a[1]; 
+        else 
+            print "Unknown"; 
+    }
+}')
+
+if [[ $MACHINE_NAME == "bell" ]]; then
+    module purge
+    module use /depot/daminton/etc/modules/bell
+    module load gcc/10.2.0
+    module load hdf5/1.10.6
+    module load netcdf/4.7.4
+    module load netcdf-fortran/4.5.3
+    module load shtools/gcc10/4.11.10
+    module load cmake/3.20.6 
+    module load ninja/1.11.1
+    if [[ $BUILD_TYPE == "Release" ]]; then
+        module load use.own
+        module load conda-env/swiftest-env-py3.8.5
+    fi    
+elif [[ $MACHINE_NAME == "negishi" ]]; then
+    module purge
+    module use /depot/daminton/etc/modules/negishi
+    module load gcc/12.2.0
+    module load hdf5/1.13.2
+    module load netcdf-c/4.9.0
+    module load netcdf-fortran/4.6.0
+    module load shtools/gcc12/4.11.10    
+    module load cmake/3.24.3 
+    module load ninja/1.11.1
+    if [[ $BUILD_TYPE == "Release" ]]; then
+        module load use.own
+        module load conda-env/swiftest-env-py3.9.13
+    fi
+fi
+
+cmake -P distclean.cmake
+if [[ BUILD_TYPE == "Release" ]]; then
+    pip install --config-settings=build-dir="build" \
+            --config-settings=cmake.build-type="${BUILD_TYPE}" \
+            --config-settings=cmake.args="-DUSE_SIMD=ON" \
+            --config-settings=cmake.args="-DUSE_OPENMP=ON" \
+            --config-settings=cmake.args="-DCMAKE_Fortran_COMPILER=gfortran" \
+            --config-settings=cmake.args="-DMACHINE_CODE_VALUE=\"Host\" " \
+            --config-settings=install.strip=false \
+            --no-build-isolation \
+            -ve . 
+else
+    pip uninstall swiftest -y
+    cmake -P distclean.cmake
+    cmake -B ${ROOT_DIR}/build -S . -G Ninja \
+    -DCMAKE_BUILD_TYPE=${BUILD_TYPE} \
+    -DCMAKE_Fortran_COMPILER=gfortran
+
+    cmake --build ${ROOT_DIR}/build -j${OMP_NUM_THREADS} -v
+fi
diff --git a/buildscripts/build_rcac_intel.sh b/buildscripts/build_rcac_intel.sh
@@ -0,0 +1,82 @@
+#!/bin/zsh -l
+# installs an editable (local) package on Bell
+# This is a convenience script for Kaustub
+# To use in Release mode, be sure to create the swiftest-env module first. Using the RCAC tools it's the following commands:
+#   $ conda env create -f environment.yml
+#   $ conda-env-mod module -n swiftest-env --jupyter
+
+
+set -a
+SCRIPT_DIR=$(realpath $(dirname $0))
+ROOT_DIR=$(realpath ${SCRIPT_DIR}/..)
+cd ${ROOT_DIR}
+BUILD_TYPE=${1:-"Release"}
+
+MACHINE_NAME=$(uname -n | awk -F. '{ 
+    if ($2 == "negishi" || $2 == "bell") 
+        print $2; 
+    else {
+        split($1, a, "-"); 
+        if (length(a) > 1) 
+            print a[1]; 
+        else 
+            print "Unknown"; 
+    }
+}')
+
+
+if [[ $MACHINE_NAME == "bell" ]]; then
+    module purge
+    module use /depot/daminton/etc/modules/bell
+    module load intel/19.0.5.281
+    module load intel-mkl/2019.5.281
+    module load impi/2019.5.281
+    module load shtools/intel19/4.11.10
+    module load cmake/3.20.6 
+    module load ninja/1.11.1
+    module load hdf5/1.10.6
+    module load netcdf/4.7.4
+    module load netcdf-fortran/4.5.3
+    if [[ $BUILD_TYPE == "Release" ]]; then
+        module load use.own
+        module load conda-env/swiftest-env-py3.8.5
+    fi
+elif [[ $MACHINE_NAME == "negishi" ]]; then
+    module purge
+    module use /depot/daminton/etc/modules/negishi
+    module load intel-oneapi-compilers/2023.0.0
+    module load intel-oneapi-mkl/2023.0.0
+    module load intel-oneapi-mpi/2021.8.0
+    source ${INTEL_ONEAPI_COMPILERS_HOME}/setvars.sh > /dev/null 2>&1
+    module load netcdf-fortran/intel-oneapi/4.6.1
+    module load shtools/intel-oneapi/4.11.10
+    module load cmake/3.24.3 
+    module load ninja/1.11.1
+    if [[ $BUILD_TYPE == "Release" ]]; then
+        module load use.own
+        module load conda-env/mintongroup-py3.9.13
+    fi
+fi
+
+
+cmake -P distclean.cmake
+if [[ $BUILD_TYPE == "Release" ]]; then
+    pip install --config-settings=build-dir="build" \
+            --config-settings=cmake.build-type="${BUILD_TYPE}" \
+            --config-settings=cmake.args="-DUSE_SIMD=ON" \
+            --config-settings=cmake.args="-DUSE_OPENMP=ON" \
+            --config-settings=cmake.args="-DCMAKE_Fortran_COMPILER=mpiifort" \
+            --config-settings=cmake.args="-DCMAKE_Fortran_FLAGS=\"-f90=ifort\"" \
+            --config-settings=cmake.args="-DMACHINE_CODE_VALUE=\"Host\" " \
+            --config-settings=install.strip=false \
+            --no-build-isolation \
+            -ve . 
+else
+    cmake -B ${ROOT_DIR}/build -S . -G Ninja \
+    -DMACHINE_CODE_VALUE="SSE2" \
+    -DCMAKE_BUILD_TYPE=${BUILD_TYPE} \
+    -DCMAKE_Fortran_COMPILER=mpiifort \
+    -DCMAKE_Fortran_FLAGS="-f90=ifort" 
+
+    cmake --build ${ROOT_DIR}/build -j${OMP_NUM_THREADS} -v
+fi
diff --git a/cmake/Modules/SetSwiftestFlags.cmake b/cmake/Modules/SetSwiftestFlags.cmake
@@ -162,7 +162,10 @@ IF (NOT BUILD_SHARED_LIBS AND NOT WINOPT)
         IF (USE_OPENMP)
             SET_COMPILE_FLAG(CMAKE_Fortran_LINK_FLAGS "${CMAKE_Fortran_LINK_FLAGS}"
                 Fortran "-lomp"  
-                        "-lgomp"  
+
+            )
+            SET_COMPILE_FLAG(CMAKE_Fortran_LINK_FLAGS "${CMAKE_Fortran_LINK_FLAGS}"
+                Fortran "-lgomp"  
             )
         ENDIF (USE_OPENMP)
     ENDIF ()
@@ -520,8 +523,7 @@ IF (CMAKE_BUILD_TYPE STREQUAL "RELEASE" OR CMAKE_BUILD_TYPE STREQUAL "PROFILE")
             )
             # Tells the compiler to link to certain libraries in the Intel oneAPI Math Kernel Library (oneMKL). 
             SET_COMPILE_FLAG(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE}"
-                Fortran "/Qmkl:cluster" # Intel Windows
-                        "/Qmkl"     # Intel Windows
+                Fortran "/Qmkl"     # Intel Windows
             ) 
             # Enables additional interprocedural optimizations for a single file compilation
             SET_COMPILE_FLAG(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE}"
@@ -556,8 +558,10 @@ IF (CMAKE_BUILD_TYPE STREQUAL "RELEASE" OR CMAKE_BUILD_TYPE STREQUAL "PROFILE")
             )
             # Tells the compiler to link to certain libraries in the Intel oneAPI Math Kernel Library (oneMKL). 
             SET_COMPILE_FLAG(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE}"
-                Fortran "-qmkl=cluster"
-                        "-qmkl"     
+                Fortran "-mkl"     
+            ) 
+            SET_COMPILE_FLAG(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE}"
+                Fortran "-qmkl"     
             ) 
             # Enables additional interprocedural optimizations for a single file compilation
             SET_COMPILE_FLAG(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE}"

diff --git a/environment.yml b/environment.yml
@@ -38,3 +38,5 @@ dependencies:
   - pip
   - flake8
   - pyshtools
+  - scikit-build-core
+  - ipykernel