Fixing cmake

Champ/champ.def

@@ -41,3 +41,12 @@ From: ubuntu:22.04
     apt purge -y --auto-remove
     rm -rf /var/lib/apt/lists/*
 
+    cat source /opt/environment.sh >> /etc/bash.bashrc
+
+%runscript
+    exec /bin/bash $@
+
+%test
+    ls /opt/champ/bin/vmc.mov1 || exit 1
+    ls /opt/champ/bin/dmc.mov1 || exit 1
+

Champ/environment.sh

@@ -7,4 +7,5 @@ source /opt/intel/oneapi/setvars.sh
 
 export FC=ifort
 export CC=icx
+export OMP_NUM_THREADS=1
 

lib/cleanup_oneapi.sh

@@ -6,3 +6,4 @@ apt remove -y \
    intel-oneapi-mpi-devel \
    gcc gfortran
 
+rm /opt/icx.cfg /opt/ifort.cfg

lib/install_champ.sh

@@ -8,13 +8,16 @@ ln -s /usr/bin/python3 /usr/bin/python
 # Install dependencies
 # --------------------
 
-apt install -y cmake python3 git make
+apt install -y cmake python3 git make gcc
 
 
 git clone --depth=1 https://github.com/filippi-claudia/champ.git
+
 cd champ
+
 cmake -S. -Bbuild \
     -DCMAKE_Fortran_COMPILER="mpiifort" \
+    -DCMAKE_C_COMPILER="gcc"
     -DENABLE_TREXIO=ON \
     -DENABLE_QMCKL=ON
 
@@ -22,4 +25,4 @@ cmake --build build -j 8
 
 rm -rf compile-* docs tests build lib
 
-apt remove -y cmake git make
+apt remove -y cmake git make gcc

lib/install_trexio_python.sh

@@ -9,5 +9,7 @@ pip install trexio
 git clone --depth=1 https://github.com/TREX-CoE/trexio_tools.git
 cd trexio_tools
 pip install .
+cd ..
 
+rm -rf trexio_tools
 apt remove -y git python3-pip