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Merge pull request #1176 from edoapra/releasetags-7-3-0

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bits for preparing 7.3.0 release
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NWChem: Open Source High-Performance Computational Chemistry 2025-10-19 12:40:56 -07:00 • committed by GitHub
commit 539e8e2c2a
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2 changed files with 4 additions and 3 deletions
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2
.github/workflows/nwchem_releasetar.yaml vendored
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@ -19,7 +19,7 @@ on:
options:
- master
- hotfix/7.2.0
- release-7-3
- release-7-3-0
- hotfix/7.3.0
jobs:

5
contrib/git.nwchem/dotar_release.sh
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@ -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