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..108d56d8d6 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 @@ -39,8 +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