mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-01 19:05:29 +02:00
Anthony Scemama
cebc19a601
* Changed native into SSE4.2 in gfortran.cfg * Fixed rm opam_installer * Fix configure * Improving scaling of pt2 with network * Router/dealer in qp_tunnel * Reduced size of qp2.png * Exclude temp files in tar * Introduce NO_CACHE in configure for daily test * Faster determinants in OCaml * We always give max 10k dets in qp_edit. Read-only if more * Fixed save_natorb * Fixing bug in qp_edit * Comments * Biblio (#61) * Biblio (#62) * Update biblio * Update paper * Journal missing in research.bib * Added paper * Fixed Pierre Francois * Checking number of electrons in MOs * Biblio (#64) * Update biblio * Update paper * Journal missing in research.bib * Added paper * Fixed Pierre Francois * 2 papers * Fixed 6-31G and quickstart (#65) * Fixed 6-31 basis sets * Bug in quickstart * Biblio (#66) * Bugfix (#67) * Fixing opam installation * Fixed 6-31 basis sets * Bug in quickstart * Use irpf90 v1.7.6 * Fix IRPF90 Path
20 lines
432 B
Plaintext
20 lines
432 B
Plaintext
# Configuration of IRPF90 package
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# Set the path of IRPF90 here:
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export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.6
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export PATH=${PATH}:${IRPF90_PATH}/bin
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export IRPF90=${IRPF90_PATH}/bin/irpf90
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function source_if_exists() {
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if [[ -f $1 ]]; then
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cd $(dirname $1) ; source $(basename $1) ; cd -
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fi &> /dev/null
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}
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source ${QP_ROOT}/etc/autocomplete.rc
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source_if_exists "${IRPF90_PATH}/irpman-completions.bash"
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