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Merge pull request #1236 from edoapra/nmcoef2c-error

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update of QA output files
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NWChem: Open Source High-Performance Computational Chemistry 2026-01-27 18:09:21 -08:00 • committed by GitHub
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11 changed files with 111880 additions and 152506 deletions
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QA/tests/cdft_jarv1/cdft_jarv1.out
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QA/tests/cosmo_h2cco2na/cosmo_h2cco2na.out
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QA/tests/cs-ano-uncontr-so/cs-ano-uncontr-so.out
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QA/tests/cs-ano-uncontr/cs-ano-uncontr.out
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QA/tests/dft_bsse_d3_opt/dft_bsse_d3_opt.out
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QA/tests/dft_waterdimer_wb97d3/dft_waterdimer_wb97d3.out
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QA/tests/libxc-h2o-camb3lyp-pol/libxc-h2o-camb3lyp-pol.out
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QA/tests/libxc_he2p_wb97/libxc_he2p_wb97.out
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QA/tests/libxc_waterdimer_bmk/libxc_waterdimer_bmk.out
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QA/tests/prop_uhf_ch3f/prop_uhf_ch3f.out
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travis/build_env.sh
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@ -46,7 +46,7 @@ fi
fi
# HOMEBREW_NO_AUTO_UPDATE=1 brew cask uninstall oclint || true
# HOMEBREW_NO_INSTALL_CLEANUP=1 HOMEBREW_NO_AUTO_UPDATE=1 brew install gcc "$MPI_IMPL" openblas python3 ||true
HOMEBREW_NO_INSTALL_CLEANUP=1 HOMEBREW_NO_AUTO_UPDATE=1 brew reinstall gcc hwloc gsed grep automake autoconf ||true
HOMEBREW_NO_INSTALL_CLEANUP=1 HOMEBREW_NO_AUTO_UPDATE=1 brew reinstall gcc hwloc gsed grep automake ||true
if [[ "$MPI_IMPL" != "build_mpich" ]]; then
brew list open-mpi >& /dev/null ; myexit=$?
if [[ $myexit == 0 ]]; then HOMEBREW_NO_INSTALL_CLEANUP=1 HOMEBREW_NO_AUTO_UPDATE=1 brew unlink -q open-mpi ||true ; fi