From 21e35184fa37ad11dab07f062d22c68880d2eecd Mon Sep 17 00:00:00 2001 From: edoapra Date: Sun, 19 Oct 2025 12:33:21 -0700 Subject: [PATCH 1/2] added branch option [ci skip] --- .github/workflows/nwchem_releasetar.yaml | 2 +- contrib/git.nwchem/dotar_release.sh | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/workflows/nwchem_releasetar.yaml b/.github/workflows/nwchem_releasetar.yaml index 9a0df18752..8238021813 100644 --- a/.github/workflows/nwchem_releasetar.yaml +++ b/.github/workflows/nwchem_releasetar.yaml @@ -19,7 +19,7 @@ on: options: - master - hotfix/7.2.0 - - release-7-3 + - release-7-3-0 - hotfix/7.3.0 jobs: diff --git a/contrib/git.nwchem/dotar_release.sh b/contrib/git.nwchem/dotar_release.sh index 5b5bdfef60..d567e86727 100755 --- a/contrib/git.nwchem/dotar_release.sh +++ b/contrib/git.nwchem/dotar_release.sh @@ -9,6 +9,7 @@ branch=$3 echo " input arguments " echo " version = $release_version" echo " input_date = $input_date" +echo " branch = $branch" #Vx=7 #Vy=2 #Vz=3 From 9d09a80b836d9ab55dc40c1f42d6665b84d03365 Mon Sep 17 00:00:00 2001 From: edoapra Date: Sun, 19 Oct 2025 12:39:40 -0700 Subject: [PATCH 2/2] added bsemol to NWCHEM_MODULES [ci skip] --- contrib/git.nwchem/dotar_release.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/contrib/git.nwchem/dotar_release.sh b/contrib/git.nwchem/dotar_release.sh index d567e86727..108d56d8d6 100755 --- a/contrib/git.nwchem/dotar_release.sh +++ b/contrib/git.nwchem/dotar_release.sh @@ -40,8 +40,8 @@ patch -p1 < ../contrib/git.nwchem/use6432y.patch # do make 64_to_32 export BLAS_SIZE=4 export USE_TBLITE=1 -export NWCHEM_MODULES=all\ python\ gwmol\ xtb -make nwchem_config NWCHEM_MODULES=all\ python\ xtb +export NWCHEM_MODULES=all\ python\ gwmol\ xtb\ bsemol +make nwchem_config NWCHEM_MODULES=all\ python\ xtb\ bsemol export EACCSD=1 export IPCCSD=1 export CCSDTQ=1