bash -e
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parent
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@ -1,4 +1,4 @@
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#!/bin/bash
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#!/bin/bash -e
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apt remove -y \
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intel-oneapi-compiler-dpcpp-cpp \
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@ -6,4 +6,4 @@ apt remove -y \
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intel-oneapi-mpi-devel \
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gcc gfortran
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rm /opt/icx.cfg /opt/ifort.cfg
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rm -f /opt/icx.cfg /opt/ifort.cfg
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@ -1,4 +1,4 @@
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#!/bin/bash
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#!/bin/bash -e
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cd /opt
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source environment.sh
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@ -17,8 +17,6 @@ cd champ
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cmake -S. -Bbuild \
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-DCMAKE_Fortran_COMPILER="mpiifort" \
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-DCMAKE_C_COMPILER="gcc"
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-DCMAKE_CXX_COMPILER="g++"
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-DENABLE_TREXIO=ON \
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-DENABLE_QMCKL=ON
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@ -27,3 +25,7 @@ cmake --build build -j 8
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rm -rf compile-* docs tests build lib
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apt remove -y cmake git make gcc g++
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# Test
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ls bin/vmc.mov1 || exit 1
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ls bin/dmc.mov1 || exit 1
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#!/bin/bash
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#!/bin/bash -e
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cd /opt
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source environment.sh
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@ -31,3 +31,11 @@ ln -s /opt/intel/oneapi/compiler/latest/bin/icx.cfg /opt/icx.cfg
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echo "-diag-disable=10448" > /opt/ifort.cfg
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apt remove -y wget pgpgpg
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# Test
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cd /opt
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source environment.sh
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ifort --version || exit 1
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icx --version || exit 1
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mpirun hostname || exit 1
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@ -1,4 +1,4 @@
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#!/bin/bash
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#!/bin/bash -e
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cd /opt
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source environment.sh
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@ -63,3 +63,8 @@ cd ..
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rm -rf qmckl-1.0.0 qmckl-1.0.0.tar.gz
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apt remove -y wget make pkg-config gcc gfortran
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# Test
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ls bin/vmc.mov1 || exit 1
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ls bin/dmc.mov1 || exit 1
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#!/bin/bash
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#!/bin/bash -e
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cd /opt
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source environment.sh
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@ -18,5 +18,4 @@ make install
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cd ..
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rm -rf trexio-2.4.2 trexio-2.4.2.tar.gz
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apt remove -y wget gcc gfortran
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@ -1,9 +1,11 @@
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#!/bin/bash
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#!/bin/bash -e
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cd /opt
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source environment.sh
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apt install -y python3 python3-pip git
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ln -s /usr/bin/python3 /usr/bin/python
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pip install trexio
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git clone --depth=1 https://github.com/TREX-CoE/trexio_tools.git
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