Fixing cmake
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@ -41,3 +41,12 @@ From: ubuntu:22.04
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apt purge -y --auto-remove
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apt purge -y --auto-remove
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rm -rf /var/lib/apt/lists/*
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rm -rf /var/lib/apt/lists/*
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cat source /opt/environment.sh >> /etc/bash.bashrc
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%runscript
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exec /bin/bash $@
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%test
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ls /opt/champ/bin/vmc.mov1 || exit 1
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ls /opt/champ/bin/dmc.mov1 || exit 1
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@ -7,4 +7,5 @@ source /opt/intel/oneapi/setvars.sh
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export FC=ifort
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export FC=ifort
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export CC=icx
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export CC=icx
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export OMP_NUM_THREADS=1
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@ -6,3 +6,4 @@ apt remove -y \
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intel-oneapi-mpi-devel \
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intel-oneapi-mpi-devel \
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gcc gfortran
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gcc gfortran
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rm /opt/icx.cfg /opt/ifort.cfg
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@ -8,13 +8,16 @@ ln -s /usr/bin/python3 /usr/bin/python
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# Install dependencies
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# Install dependencies
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# --------------------
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# --------------------
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apt install -y cmake python3 git make
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apt install -y cmake python3 git make gcc
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git clone --depth=1 https://github.com/filippi-claudia/champ.git
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git clone --depth=1 https://github.com/filippi-claudia/champ.git
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cd champ
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cd champ
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cmake -S. -Bbuild \
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cmake -S. -Bbuild \
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-DCMAKE_Fortran_COMPILER="mpiifort" \
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-DCMAKE_Fortran_COMPILER="mpiifort" \
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-DCMAKE_C_COMPILER="gcc"
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-DENABLE_TREXIO=ON \
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-DENABLE_TREXIO=ON \
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-DENABLE_QMCKL=ON
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-DENABLE_QMCKL=ON
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@ -22,4 +25,4 @@ cmake --build build -j 8
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rm -rf compile-* docs tests build lib
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rm -rf compile-* docs tests build lib
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apt remove -y cmake git make
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apt remove -y cmake git make gcc
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@ -9,5 +9,7 @@ pip install trexio
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git clone --depth=1 https://github.com/TREX-CoE/trexio_tools.git
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git clone --depth=1 https://github.com/TREX-CoE/trexio_tools.git
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cd trexio_tools
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cd trexio_tools
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pip install .
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pip install .
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cd ..
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rm -rf trexio_tools
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apt remove -y git python3-pip
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apt remove -y git python3-pip
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