From bb67157a93c8ebf10e6f64f20a0c5afc3f825e97 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 11 Apr 2024 13:53:52 +0200
Subject: [PATCH] Fixing cmake

---
 Champ/champ.def              | 9 +++++++++
 Champ/environment.sh         | 1 +
 lib/cleanup_oneapi.sh        | 1 +
 lib/install_champ.sh         | 7 +++++--
 lib/install_trexio_python.sh | 2 ++
 5 files changed, 18 insertions(+), 2 deletions(-)

diff --git a/Champ/champ.def b/Champ/champ.def
index 435be27..541b847 100644
--- a/Champ/champ.def
+++ b/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
+
diff --git a/Champ/environment.sh b/Champ/environment.sh
index 8955140..ca57609 100755
--- a/Champ/environment.sh
+++ b/Champ/environment.sh
@@ -7,4 +7,5 @@ source /opt/intel/oneapi/setvars.sh
 
 export FC=ifort
 export CC=icx
+export OMP_NUM_THREADS=1
 
diff --git a/lib/cleanup_oneapi.sh b/lib/cleanup_oneapi.sh
index 1c73302..60e017a 100755
--- a/lib/cleanup_oneapi.sh
+++ b/lib/cleanup_oneapi.sh
@@ -6,3 +6,4 @@ apt remove -y \
    intel-oneapi-mpi-devel \
    gcc gfortran
 
+rm /opt/icx.cfg /opt/ifort.cfg
diff --git a/lib/install_champ.sh b/lib/install_champ.sh
index 7a30ae8..cf27b03 100755
--- a/lib/install_champ.sh
+++ b/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
diff --git a/lib/install_trexio_python.sh b/lib/install_trexio_python.sh
index daf2feb..4b23265 100755
--- a/lib/install_trexio_python.sh
+++ b/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