This commit is contained in:
Anthony Scemama 2024-04-11 14:33:16 +02:00
parent 0df2e48dc1
commit 1acd702d97
6 changed files with 26 additions and 10 deletions

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@ -1,4 +1,4 @@
#!/bin/bash
#!/bin/bash -e
apt remove -y \
intel-oneapi-compiler-dpcpp-cpp \
@ -6,4 +6,4 @@ apt remove -y \
intel-oneapi-mpi-devel \
gcc gfortran
rm /opt/icx.cfg /opt/ifort.cfg
rm -f /opt/icx.cfg /opt/ifort.cfg

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@ -1,4 +1,4 @@
#!/bin/bash
#!/bin/bash -e
cd /opt
source environment.sh
@ -17,8 +17,6 @@ cd champ
cmake -S. -Bbuild \
-DCMAKE_Fortran_COMPILER="mpiifort" \
-DCMAKE_C_COMPILER="gcc"
-DCMAKE_CXX_COMPILER="g++"
-DENABLE_TREXIO=ON \
-DENABLE_QMCKL=ON
@ -27,3 +25,7 @@ cmake --build build -j 8
rm -rf compile-* docs tests build lib
apt remove -y cmake git make gcc g++
# Test
ls bin/vmc.mov1 || exit 1
ls bin/dmc.mov1 || exit 1

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@ -1,4 +1,4 @@
#!/bin/bash
#!/bin/bash -e
cd /opt
source environment.sh
@ -31,3 +31,11 @@ ln -s /opt/intel/oneapi/compiler/latest/bin/icx.cfg /opt/icx.cfg
echo "-diag-disable=10448" > /opt/ifort.cfg
apt remove -y wget pgpgpg
# Test
cd /opt
source environment.sh
ifort --version || exit 1
icx --version || exit 1
mpirun hostname || exit 1

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@ -1,4 +1,4 @@
#!/bin/bash
#!/bin/bash -e
cd /opt
source environment.sh
@ -63,3 +63,8 @@ cd ..
rm -rf qmckl-1.0.0 qmckl-1.0.0.tar.gz
apt remove -y wget make pkg-config gcc gfortran
# Test
ls bin/vmc.mov1 || exit 1
ls bin/dmc.mov1 || exit 1

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@ -1,4 +1,4 @@
#!/bin/bash
#!/bin/bash -e
cd /opt
source environment.sh
@ -18,5 +18,4 @@ make install
cd ..
rm -rf trexio-2.4.2 trexio-2.4.2.tar.gz
apt remove -y wget gcc gfortran

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@ -1,9 +1,11 @@
#!/bin/bash
#!/bin/bash -e
cd /opt
source environment.sh
apt install -y python3 python3-pip git
ln -s /usr/bin/python3 /usr/bin/python
pip install trexio
git clone --depth=1 https://github.com/TREX-CoE/trexio_tools.git