From e7d40797a011390f4548ea6133e1d28cf005a9f5 Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 23 Feb 2026 10:47:51 -0800 Subject: [PATCH 1/2] elpa update --- contrib/getfiles.nwchem | 50 ++++++++++++++++++++++++++++++++--------- 1 file changed, 40 insertions(+), 10 deletions(-) diff --git a/contrib/getfiles.nwchem b/contrib/getfiles.nwchem index 89d9c208d3..4aeb1d3803 100755 --- a/contrib/getfiles.nwchem +++ b/contrib/getfiles.nwchem @@ -7,21 +7,51 @@ wget https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3/dftd3.tgz 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 +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 $NWCHEM_TOP/src/libext/scalapack +#scalapack COMMIT=a23c2cdc6586c427686f6097ae66bb54ef693571 -rm -f scalapack-$COMMIT.zip -curl -L https://github.com/Reference-ScaLAPACK/scalapack/archive/$COMMIT.zip -o scalapack-$COMMIT.zip +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 +#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 #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/elpa/elpa*tar.gz "$1"/. fi From a6e6767e30fe45e610ec6cdd4ab5167b4412763a Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 23 Feb 2026 13:54:55 -0800 Subject: [PATCH 2/2] url updates --- src/libext/elpa/build_elpa.sh | 23 +++++++++++++++-------- 1 file changed, 15 insertions(+), 8 deletions(-) diff --git a/src/libext/elpa/build_elpa.sh b/src/libext/elpa/build_elpa.sh index 965b62e88d..48975b0db8 100755 --- a/src/libext/elpa/build_elpa.sh +++ b/src/libext/elpa/build_elpa.sh @@ -24,17 +24,24 @@ if [ -f elpa-${VERSION}.tar.gz ]; then echo "using existing" elpa-${VERSION}.tar.gz else rm -rf elpa* -# echo curl -L https://github.com/marekandreas/elpa/archive/refs/tags/${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 ] + 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 "${ELPA_URL[@]}" do - if [ "$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 + 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 [ $? -eq 0 ]; then break ; fi - tries=$((tries+1)) ; done + done fi tar xzf elpa-${VERSION}.tar.gz ln -sf elpa-${VERSION} elpa