diff --git a/lib/cleanup_oneapi.sh b/lib/cleanup_oneapi.sh index 60e017a..1612ec2 100755 --- a/lib/cleanup_oneapi.sh +++ b/lib/cleanup_oneapi.sh @@ -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 diff --git a/lib/install_champ.sh b/lib/install_champ.sh index a3e3510..e88f216 100755 --- a/lib/install_champ.sh +++ b/lib/install_champ.sh @@ -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 diff --git a/lib/install_oneapi.sh b/lib/install_oneapi.sh index 3e6b7cd..0c1f98a 100755 --- a/lib/install_oneapi.sh +++ b/lib/install_oneapi.sh @@ -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 diff --git a/lib/install_qmckl.sh b/lib/install_qmckl.sh index 764363d..6833539 100755 --- a/lib/install_qmckl.sh +++ b/lib/install_qmckl.sh @@ -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 diff --git a/lib/install_trexio.sh b/lib/install_trexio.sh index 1d40f14..34a693d 100755 --- a/lib/install_trexio.sh +++ b/lib/install_trexio.sh @@ -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 diff --git a/lib/install_trexio_python.sh b/lib/install_trexio_python.sh index 4b23265..6e932ad 100755 --- a/lib/install_trexio_python.sh +++ b/lib/install_trexio_python.sh @@ -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