Fix CHAMP and HDF5

Champ/champ.def

@@ -45,8 +45,9 @@ From: ubuntu:22.04
 
     echo source /opt/environment.sh >> /etc/bash.bashrc
 
+
 %runscript
-    exec /bin/bash $@
+    exec /bin/bash "$@"
 
 %test
     ls /opt/champ/bin/vmc.mov1 || exit 1

Champ/environment.sh

@@ -9,3 +9,4 @@ export FC=ifort
 export CC=icx
 export OMP_NUM_THREADS=1
 
+export PATH=$PATH:/opt/champ/bin

lib/install_champ.sh

@@ -14,11 +14,14 @@ apt install -y cmake python3 git make gcc g++
 git clone --depth=1 https://github.com/filippi-claudia/champ.git
 
 cd champ
+echo "-march=core-avx2" >> /opt/ifort.cfg
+echo "-march=core-avx2" >> /opt/icx.cfg
 
 cmake -S. -Bbuild \
     -DCMAKE_Fortran_COMPILER="mpiifort" \
     -DENABLE_TREXIO=ON \
-    -DENABLE_QMCKL=ON
+    -DENABLE_QMCKL=ON \
+    -DVECTORIZATION="avx2"
 
 cmake --build build -j 8
 

lib/install_qmckl.sh

@@ -16,7 +16,7 @@ which ifort \
 || apt install -y gfortran
 
 if [ $CC = icx ] ; then
-  export CFLAGS="-Ofast -g -qmkl=sequential -ftz -fma -march=core-avx2"
+  export CFLAGS="-Ofast -g -qmkl=sequential -fma -march=core-avx2 -finline"
   export FCFLAGS="-Ofast -g -qmkl=sequential -ftz -fma -march=core-avx2 -ip"
 else
   export CFLAGS="-Ofast -g -march=core-avx2"

lib/install_trexio.sh

@@ -3,7 +3,7 @@
 cd /opt
 source environment.sh
 
-apt install -y wget libhdf5-dev libhdf5 make
+apt install -y wget libhdf5-dev hdf5-tools make
 [ -z $CC ] && apt install -y gcc
 [ -z $FC ] && apt install -y gfortran