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fix caching

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edoapra 2026-02-27 14:43:35 -08:00
parent 5bc663b968
commit 610289b7b8
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6 changed files with 108 additions and 103 deletions
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51
contrib/getfiles.nwchem
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@ -1,57 +1,26 @@
#!/usr/bin/env bash
#
# $Id$
source $NWCHEM_TOP/src/libext/libext_utils/getfiles_utils.sh
cd $NWCHEM_TOP/src/nwpw/nwpwlib/nwpwxc/
rm -f dftd3.tgz
wget https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3/dftd3.tgz
#openblas
cd $NWCHEM_TOP/src/libext/openblas
VERSION=0.3.29
rm -rf OpenBLAS*gz
rm -rf OpenBLAS*
tries=1
until [ "$tries" -ge 6 ]
do
if [ "$tries" -gt 1 ]; then sleep 9; echo attempt no. $tries ; fi
curl -L https://github.com/OpenMathLib/OpenBLAS/archive/v${VERSION}.tar.gz -o OpenBLAS-${VERSION}.tar.gz ;
# check tar.gz integrity
gzip -t OpenBLAS-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1)) ; done
cd $NWCHEM_TOP/src/libext/scalapack
rm -rf OpenB* openblas*
get_openblas
#scalapack
COMMIT=a23c2cdc6586c427686f6097ae66bb54ef693571
echo "downloading" "scalapack-$COMMIT.tar.gz"
rm -rf scalapack-$COMMIT.tar.gz scalapack*
tries=1
until [ "$tries" -ge 6 ]
do
if [ "$tries" -gt 1 ]; then sleep 9; echo attempt no. $tries ; fi
curl -L https://github.com/Reference-ScaLAPACK/scalapack/archive/$COMMIT.tar.gz -o scalapack-$COMMIT.tar.gz
# check tar.gz integrity
gzip -t scalapack-$COMMIT.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1))
done
cd $NWCHEM_TOP/src/libext/scalapack
rm -rf scalapa*
get_scalapack
#ELPA
cd $NWCHEM_TOP/src/libext/elpa
rm -rf elpa*tar.gz elpa*
SHORTVERSION=2025.06.002
VERSION=new_release_${SHORTVERSION}
# echo curl -L https://github.com/marekandreas/elpa/archive/refs/tags/${VERSION}.tar.gz -o elpa-${VERSION}.tar.gz
# curl -L https://github.com/marekandreas/elpa/archive/refs/tags/${VERSION}.tar.gz -o elpa-${VERSION}.tar.gz
tries=1
until [ "$tries" -ge 6 ]
do
if [ "$tries" -gt 1 ]; then echo sleeping for 9s ;sleep 9; echo attempt no. $tries ; fi
echo curl https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/${VERSION}/elpa-${VERSION}.tar.gz -o elpa-${VERSION}.tar.gz
curl -L https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/${VERSION}/elpa-${VERSION}.tar.gz -o elpa-${VERSION}.tar.gz
gzip -t elpa-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1)) ; done
rm -rf elpa*
get_elpa
#caching
if [ ! -z "$1" ]; then
rsync -av $NWCHEM_TOP/src/nwpw/nwpwlib/nwpwxc/dftd3.tgz "$1"/.
rsync -av $NWCHEM_TOP/src/libext/openblas/OpenBLAS*gz "$1"/.
rsync -av $NWCHEM_TOP/src/libext/scalapack/scalapack*zip "$1"/.
rsync -av $NWCHEM_TOP/src/libext/scalapack/scalapack*tar*gz "$1"/.
rsync -av $NWCHEM_TOP/src/libext/elpa/elpa*tar.gz "$1"/.
fi

25
src/libext/elpa/build_elpa.sh
View file

@ -19,30 +19,9 @@ arch=`uname -m`
#SHORTVERSION=2023.05.001
SHORTVERSION=2025.06.002
VERSION=new_release_${SHORTVERSION}
source ../libext_utils/getfiles_utils.sh
get_elpa $SHORTVERSION
echo mpif90 is `which mpif90`
if [ -f elpa-${VERSION}.tar.gz ]; then
echo "using existing" elpa-${VERSION}.tar.gz
else
rm -rf elpa*
ELPA_URL=("https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/${VERSION}/elpa-${VERSION}.tar.gz" \
"https://web.archive.org/web/20260214233634/https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_2025.06.002/elpa-new_release_2025.06.002.tar.gz")
# curl -L https://github.com/marekandreas/elpa/archive/refs/tags/${VERSION}.tar.gz -o elpa-${VERSION}.tar.gz
for url in "${ELPA_URL[@]}"
do
echo using $url
tries=1
until [ "$tries" -ge 3 ]
do
if [ "$tries" -gt 1 ]; then echo sleeping for 9s ;sleep 9; echo attempt no. $tries ; fi
curl -L --progress-bar $url -o elpa-${VERSION}.tar.gz
gzip -t elpa-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1))
done
gzip -t elpa-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
done
fi
tar xzf elpa-${VERSION}.tar.gz
ln -sf elpa-${VERSION} elpa
cd elpa

90
src/libext/libext_utils/getfiles_utils.sh Normal file
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@ -0,0 +1,90 @@
get_elpa(){
if [[ $# -eq 0 ]] ; then
elpa_shortv=2025.06.002
else
elpa_shortv=$1
fi
echo "Parameter #1 is $1"
VERSION=new_release_${elpa_shortv}
echo ELPA VERSION is $VERSION
if [ -f elpa-${VERSION}.tar.gz ]; then
echo "using existing" elpa-${VERSION}.tar.gz
else
rm -rf elpa*
ELPA_URL=("https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/${VERSION}/elpa-${VERSION}.tar.gz" \
"https://web.archive.org/web/20260214233634/https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_2025.06.002/elpa-new_release_2025.06.002.tar.gz")
for url in "${ELPA_URL[@]}"
do
echo using $url
tries=1
until [ "$tries" -ge 3 ]
do
if [ "$tries" -gt 1 ]; then echo sleeping for 9s ;sleep 9; echo attempt no. $tries ; fi
curl -L --progress-bar $url -o elpa-${VERSION}.tar.gz
gzip -t elpa-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1))
done
gzip -t elpa-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then return 0 ; fi
done
fi
return 1
}
get_scalapack(){
if [[ $# -eq 0 ]] ; then
# version=2.1.0
COMMIT=a23c2cdc6586c427686f6097ae66bb54ef693571
#COMMIT=bd1768b91262b4cdc7dd5f87b373b9b18eda4636
#COMMIT=b935167ca4d244735abc04a3cd4f6d56699702a0
else
COMMIT=$1
fi
echo "Parameter #1 is $1"
echo Scalapack commit is $COMMIT
rm -rf scalapack
if [[ -f "scalapack-$COMMIT.tar.gz" ]]; then
echo "using existing" "scalapack-$COMMIT.tar.gz"
else
echo "downloading" "scalapack-$COMMIT.tar.gz"
rm -f scalapack-$COMMIT.tar.gz
tries=1
until [ "$tries" -ge 6 ]
do
if [ "$tries" -gt 1 ]; then sleep 9; echo attempt no. $tries ; fi
curl -L https://github.com/Reference-ScaLAPACK/scalapack/archive/$COMMIT.tar.gz -o scalapack-$COMMIT.tar.gz
# check tar.gz integrity
gzip -t scalapack-$COMMIT.tar.gz >& /dev/null
if [ $? -eq 0 ]; then return 0 ; fi
tries=$((tries+1)) ; done
fi
return 1
}
get_openblas()
{
if [[ $# -eq 0 ]] ; then
VERSION=0.3.29
else
VERSION=$1
fi
echo "Parameter #1 is $1"
echo OpenBLAS VERSION is $VERSION
if [ -f OpenBLAS-${VERSION}.tar.gz ]; then
echo "using existing" OpenBLAS-${VERSION}.tar.gz
else
rm -rf OpenBLAS* openblas*
tries=1
until [ "$tries" -ge 6 ]
do
if [ "$tries" -gt 1 ]; then sleep 9; echo attempt no. $tries ; fi
curl -L https://github.com/OpenMathLib/OpenBLAS/archive/v${VERSION}.tar.gz -o OpenBLAS-${VERSION}.tar.gz ;
# check tar.gz integrity
gzip -t OpenBLAS-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then return 0 ; fi
tries=$((tries+1)) ; done
fi
if [ $? -ne 0 ]; then echo "openBLAS tarball not ready"; rm -f OpenBLAS-${VERSION}.tar.gz; return 1 ; fi
return 0
}

18
src/libext/openblas/build_openblas.sh
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@ -1,23 +1,9 @@
#!/usr/bin/env bash
#set -v
arch=`uname -m`
source ../libext_utils/getfiles_utils.sh
VERSION=0.3.29
#COMMIT=974acb39ff86121a5a94be4853f58bd728b56b81
BRANCH=develop
if [ -f OpenBLAS-${VERSION}.tar.gz ]; then
echo "using existing" OpenBLAS-${VERSION}.tar.gz
else
rm -rf OpenBLAS*
tries=1 ; until [ "$tries" -ge 6 ] ; do
if [ "$tries" -gt 1 ]; then sleep 9; echo attempt no. $tries ; fi
curl -L https://github.com/OpenMathLib/OpenBLAS/archive/v${VERSION}.tar.gz -o OpenBLAS-${VERSION}.tar.gz ;
# check tar.gz integrity
gzip -t OpenBLAS-${VERSION}.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1)) ; done
fi
gzip -t OpenBLAS-${VERSION}.tar.gz >& /dev/null
if [ $? -ne 0 ]; then echo "openBLAS tarball not ready"; rm -f OpenBLAS-${VERSION}.tar.gz; exit 1 ; fi
get_openblas $VERSION
tar xzf OpenBLAS-${VERSION}.tar.gz
ln -sf OpenBLAS-${VERSION} OpenBLAS
cd OpenBLAS

24
src/libext/scalapack/build_scalapa.sh
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@ -139,31 +139,11 @@ fi
if [[ ! -z "$BUILD_OPENBLAS" ]] ; then
BLASOPT="-L`pwd`/../lib -lnwc_openblas"
fi
#git clone https://github.com/scibuilder/scalapack.git
#svn co --non-interactive --trust-server-cert https://icl.utk.edu/svn/scalapack-dev/scalapack/trunk/ scalapack
VERSION=2.1.0
#curl -L https://github.com/Reference-ScaLAPACK/scalapack/archive/v${VERSION}.tar.gz -o scalapack.tgz
#COMMIT=bc6cad585362aa58e05186bb85d4b619080c45a9
#COMMIT=ea5d20668a6b8bbee645b7ffe44623c623969d33
COMMIT=5bad7487f496c811192334640ce4d3fc5f88144b
COMMIT=782e739f8eb0e7f4d51ad7dd23fc1d03dc99d240
source ../libext_utils/getfiles_utils.sh
COMMIT=a23c2cdc6586c427686f6097ae66bb54ef693571
#COMMIT=bd1768b91262b4cdc7dd5f87b373b9b18eda4636
#COMMIT=b935167ca4d244735abc04a3cd4f6d56699702a0
rm -rf scalapack
if [[ -f "scalapack-$COMMIT.tar.gz" ]]; then
echo "using existing" "scalapack-$COMMIT.tar.gz"
else
echo "downloading" "scalapack-$COMMIT.tar.gz"
rm -f scalapack-$COMMIT.tar.gz
tries=1 ; until [ "$tries" -ge 6 ] ; do
if [ "$tries" -gt 1 ]; then sleep 9; echo attempt no. $tries ; fi
curl -L https://github.com/Reference-ScaLAPACK/scalapack/archive/$COMMIT.tar.gz -o scalapack-$COMMIT.tar.gz
# check tar.gz integrity
gzip -t scalapack-$COMMIT.tar.gz >& /dev/null
if [ $? -eq 0 ]; then break ; fi
tries=$((tries+1)) ; done
fi
get_scalapack $COMMIT
tar xzf scalapack-$COMMIT.tar.gz
ln -sf scalapack-*$COMMIT scalapack
#ln -sf scalapack-${VERSION} scalapack

3
travis/cache_fetch.sh
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@ -14,4 +14,5 @@ set -v
ls -lart /home/runner/work/nwchem/nwchem/src/libext/mpich || true
rsync -av ~/cache/dftd3.tgz src/nwpw/nwpwlib/nwpwxc/. || true
rsync -av ~/cache/OpenBLAS*gz src/libext/openblas/. || true
rsync -av ~/cache/scalapack*zip src/libext/scalapack/. || true
rsync -av ~/cache/scalapack*tar*gz src/libext/scalapack/. || true
rsync -av ~/cache/elpa*tar*gz src/libext/elpa/. || true