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https://github.com/LCPQ/quantum_package
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Fix NEEDED_MODULE and qp_create_module
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@ -15,4 +15,8 @@ source ${QPACKAGE_ROOT}/scripts/qp_include.sh
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check_current_dir_is_module
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OUTPUT=$(module_handler.py check_dependencies $@)
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echo $@ > NEEDED_CHILDREN_MODULES
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if [[ $? -eq 0 ]]
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then
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echo $@ > NEEDED_CHILDREN_MODULES
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fi
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@ -71,7 +71,7 @@ debug "Module does not already exist: OK"
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# Set up dependencies
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ALL_MODULES="${NEEDED_MODULES}"
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ALL_MODULES="$(cat NEEDED_MODULES)"
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echo "Select which modules you are sure you will need: (press q to quit)"
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NEEDED_MODULES=""
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select M in ${ALL_MODULES}
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@ -1 +1 @@
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AOs Bielec_integrals Bitmask CAS_SD CID CID_SC2_selected CID_selected CIS CISD CISD_SC2_selected CISD_selected DDCI_selected Determinants Electrons Ezfio_files FCIdump Full_CI Generators_CAS Generators_full Hartree_Fock MOGuess MOs MP2 MRCC Molden MonoInts Nuclei Output Perturbation Properties Pseudo_integrals Selectors_full SingleRefMethod Utils Toto
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AOs Bielec_integrals Bitmask CID CID_SC2_selected CID_selected CIS CISD CISD_selected CISD_SC2_selected Determinants Electrons Ezfio_files Full_CI Generators_full Hartree_Fock MOGuess MonoInts MOs MP2 Nuclei Output Selectors_full Utils Molden FCIdump Generators_CAS CAS_SD DDCI_selected MRCC Pseudo_integrals
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