reorganized packages

Author: Malmahrouqi3

.github/workflows/images/Singularity.cpu

@@ -10,15 +10,16 @@ From: ubuntu:24.04
     export DEBIAN_FRONTEND=noninteractive
     apt update -y && apt install -y \
         build-essential git tar wget make cmake gcc g++ \
-        python3 python3-dev python3-venv \
-        openmpi-bin libopenmpi-dev libfftw3-dev \
-        python3-pip python3-venv
+        python3 python3-venv python3-pip\
+        openmpi-bin libopenmpi-dev libfftw3-dev
+        
     cd /opt
     git clone --depth 1 https://github.com/mflowcode/mfc.git MFC
     cd /opt/MFC
     ./mfc.sh build -j $(nproc)
-    ./mfc.sh test -a --dry-run -j $(nproc)
+    ./mfc.sh test --dry-run -j $(nproc)
 
 %runscript
+    mkdir -p /tmp/mfc_build
     cd /opt/MFC
-    exec ./mfc.sh "$@"
+    exec ./mfc.sh "$@" --build-dir="/tmp/mfc_build"

.github/workflows/images/Singularity.cpu_bench

@@ -10,18 +10,16 @@ From: ubuntu:24.04
     export DEBIAN_FRONTEND=noninteractive
     apt update -y && apt install -y \
         build-essential git tar wget make cmake gcc g++ \
-        python3 python3-dev python3-venv \
-        openmpi-bin libopenmpi-dev libfftw3-dev \
-        python3-pip python3-venv
+        python3 python3-venv python3-pip\
+        openmpi-bin libopenmpi-dev libfftw3-dev
+        
     cd /opt
     git clone --depth 1 https://github.com/mflowcode/mfc.git MFC
     cd /opt/MFC
     ./mfc.sh build -j $(nproc)
     ./mfc.sh test --dry-run -j $(nproc)
 
 %runscript
-    mkdir -p /tmp/mfc/build
+    mkdir -p /tmp/mfc_build
     cd /opt/MFC
-    cp -r /opt/MFC /tmp/mfc/
-    cd /tmp/mfc/MFC
-    exec ./mfc.sh "$@"
+    exec ./mfc.sh "$@" --build-dir="/tmp/mfc_build"

.github/workflows/images/Singularity.gpu

@@ -1,5 +1,5 @@
 Bootstrap: docker
-From: nvcr.io/nvidia/nvhpc:23.11-devel-cuda12.3-ubuntu22.04
+From: ubuntu:24.04
 
 %environment
     export OMPI_ALLOW_RUN_AS_ROOT=1
@@ -8,27 +8,18 @@ From: nvcr.io/nvidia/nvhpc:23.11-devel-cuda12.3-ubuntu22.04
 
 %post
     export DEBIAN_FRONTEND=noninteractive
-    export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.11/compilers/bin:$PATH
-    export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.11/compilers/lib:$LD_LIBRARY_PATH
-
     apt update -y && apt install -y \
         build-essential git tar wget make cmake gcc g++ \
-        python3 python3-dev python3-venv \
-        openmpi-bin libopenmpi-dev libfftw3-dev \
-        python3-pip python3-venv
+        python3 python3-venv python3-pip\
+        openmpi-bin libopenmpi-dev libfftw3-dev
+
     cd /opt
     git clone --depth 1 https://github.com/mflowcode/mfc.git MFC
     cd /opt/MFC
-    rm -rf build
-    export CC=nvc
-    export CXX=nvc++
-    export FC=nvfortran
-    ./mfc.sh build --mpi --gpu -j $(nproc)
-    ./mfc.sh test --dry-run -j $(nproc)
+    ./mfc.sh build --gpu -j $(nproc)
+    ./mfc.sh test --dry-run --gpu -j $(nproc)
 
 %runscript
-    mkdir -p /tmp/mfc/build
+    mkdir -p /tmp/mfc_build
     cd /opt/MFC
-    cp -r /opt/MFC /tmp/mfc/
-    cd /tmp/mfc/MFC
-    exec ./mfc.sh "$@"
+    exec ./mfc.sh "$@" --build-dir="/tmp/mfc_build"

.github/workflows/images/Singularity.gpu_bench

@@ -13,9 +13,9 @@ From: nvcr.io/nvidia/nvhpc:23.11-devel-cuda12.3-ubuntu22.04
 
     apt update -y && apt install -y \
         build-essential git tar wget make cmake gcc g++ \
-        python3 python3-dev python3-venv \
-        openmpi-bin libopenmpi-dev libfftw3-dev \
-        python3-pip python3-venv
+        python3 python3-venv python3-pip\
+        openmpi-bin libopenmpi-dev libfftw3-dev
+
     cd /opt
     git clone --depth 1 https://github.com/mflowcode/mfc.git MFC
     cd /opt/MFC
@@ -24,9 +24,9 @@ From: nvcr.io/nvidia/nvhpc:23.11-devel-cuda12.3-ubuntu22.04
     export CXX=nvc++
     export FC=nvfortran
     ./mfc.sh build --mpi --gpu -j $(nproc)
-    ./mfc.sh test --dry-run -j $(nproc)
-    ./mfc.sh bench -o bench.yaml
+    ./mfc.sh test --dry-run --gpu -j $(nproc)
 
 %runscript
+    mkdir -p /tmp/mfc_build
     cd /opt/MFC
-    exec ./mfc.sh "$@"
+    exec ./mfc.sh "$@" --build-dir="/tmp/mfc_build"