From c7410eb935aee0ddbf6ebb863dc74a439b836495 Mon Sep 17 00:00:00 2001 From: Logan Yamamoto Mac Date: Tue, 4 Jun 2024 03:50:00 -1000 Subject: [PATCH] changing paths to use SOURCE_DIR env variable --- Examples/01_Optimization/01_Water/run.sh | 6 +++--- Examples/02_Adaibatic_MD/01_Water_NVE/run.sh | 4 ++-- Examples/03_NAQMD/01_Water_NVE/run.sh | 6 +++--- 3 files changed, 8 insertions(+), 8 deletions(-) diff --git a/Examples/01_Optimization/01_Water/run.sh b/Examples/01_Optimization/01_Water/run.sh index 864c20c5..196fb982 100644 --- a/Examples/01_Optimization/01_Water/run.sh +++ b/Examples/01_Optimization/01_Water/run.sh @@ -1,7 +1,7 @@ cp ../../../qxmd . -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/01_Optimization/01_Water/analysis/DOS/. -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/01_Optimization/01_Water/analysis/eng/. -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/01_Optimization/01_Water/analysis/pdb/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/01_Optimization/01_Water/analysis/DOS/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/01_Optimization/01_Water/analysis/eng/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/01_Optimization/01_Water/analysis/pdb/. export PYTHONPATH=../../../util/ export LD_LIBRARY_PATH=../../../fftw-3.3.8/build/lib:${LD_LIBRARY_PATH} mkdir data diff --git a/Examples/02_Adaibatic_MD/01_Water_NVE/run.sh b/Examples/02_Adaibatic_MD/01_Water_NVE/run.sh index 492d0b25..16b6b4c2 100644 --- a/Examples/02_Adaibatic_MD/01_Water_NVE/run.sh +++ b/Examples/02_Adaibatic_MD/01_Water_NVE/run.sh @@ -1,6 +1,6 @@ cp ../../../qxmd . -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/bond-angle/. -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/eng/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/bond-angle/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/eng/. mkdir data export PYTHONPATH=../../../util/ export LD_LIBRARY_PATH=../../../fftw-3.3.8/build/lib:${LD_LIBRARY_PATH} diff --git a/Examples/03_NAQMD/01_Water_NVE/run.sh b/Examples/03_NAQMD/01_Water_NVE/run.sh index 19ec8322..450df11d 100644 --- a/Examples/03_NAQMD/01_Water_NVE/run.sh +++ b/Examples/03_NAQMD/01_Water_NVE/run.sh @@ -1,7 +1,7 @@ cp ../../../qxmd . -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/03_NAQMD/01_Water_NVE/analysis/bond-angle/. -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/03_NAQMD/01_Water_NVE/analysis/eig/. -cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/03_NAQMD/01_Water_NVE/analysis/rate/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/03_NAQMD/01_Water_NVE/analysis/bond-angle/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/03_NAQMD/01_Water_NVE/analysis/eig/. +cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/03_NAQMD/01_Water_NVE/analysis/rate/. mkdir data export PYTHONPATH=../../../util/ export LD_LIBRARY_PATH=../../../fftw-3.3.8/build/lib:${LD_LIBRARY_PATH}