2024-04-11 14:33:16 +02:00
|
|
|
#!/bin/bash -e
|
2024-04-11 11:23:49 +02:00
|
|
|
|
|
|
|
|
cd /opt
|
2024-04-11 12:03:02 +02:00
|
|
|
source environment.sh
|
|
|
|
|
|
|
|
|
|
ln -s /usr/bin/python3 /usr/bin/python
|
2024-04-11 11:23:49 +02:00
|
|
|
|
|
|
|
|
# Install dependencies
|
|
|
|
|
# --------------------
|
|
|
|
|
|
2024-04-11 14:17:21 +02:00
|
|
|
apt install -y cmake python3 git make gcc g++
|
2024-04-11 11:23:49 +02:00
|
|
|
|
|
|
|
|
|
|
|
|
|
git clone --depth=1 https://github.com/filippi-claudia/champ.git
|
2024-04-11 13:53:52 +02:00
|
|
|
|
2024-04-11 11:23:49 +02:00
|
|
|
cd champ
|
2024-04-11 13:53:52 +02:00
|
|
|
|
2024-04-11 11:23:49 +02:00
|
|
|
cmake -S. -Bbuild \
|
|
|
|
|
-DCMAKE_Fortran_COMPILER="mpiifort" \
|
|
|
|
|
-DENABLE_TREXIO=ON \
|
|
|
|
|
-DENABLE_QMCKL=ON
|
|
|
|
|
|
|
|
|
|
cmake --build build -j 8
|
|
|
|
|
|
|
|
|
|
rm -rf compile-* docs tests build lib
|
2024-04-11 12:03:02 +02:00
|
|
|
|
2024-04-11 14:33:16 +02:00
|
|
|
# Test
|
|
|
|
|
ls bin/vmc.mov1 || exit 1
|
|
|
|
|
ls bin/dmc.mov1 || exit 1
|
