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24 lines
759 B
Bash
Executable file
24 lines
759 B
Bash
Executable file
#!/usr/bin/env bash
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set -eo pipefail
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sudo apt-get install -y mpich libmpich-dev
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export NWCHEM_TOP=`pwd`
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export USE_MPI=1
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cd src
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make nwchem_config NWCHEM_MODULES="all python"
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make 64_to_32 CONVERT_ALL=y
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make 32_to_64
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rm -f diff.out
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git diff -U0 . >& diff.out
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if [ $(wc -l diff.out | cut -d " " -f 1) != 0 ]; then
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cat diff.out
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echo "********** check_64_to_32 *********"
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echo "********** found missing files ****"
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echo "********** from USES_BLAS *********"
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grep 'diff --git' diff.out | cut -d ' ' -f 4 | sed -e "s/b\/src/src/"
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echo "***********************************"
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exit 1
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else
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echo "********** check_64_to_32 *********"
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echo "********** found no missing files ****"
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echo "********** from USES_BLAS *********"
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fi
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