QuantumPackage/etc/irpf90.rc

# Configuration of IRPF90 package

# Set the path of IRPF90 here:
export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.6
export PATH=${PATH}:${IRPF90_PATH}/bin

export IRPF90=${IRPF90_PATH}/bin/irpf90

function source_if_exists() {
  if [[ -f $1 ]]; then
        cd $(dirname $1) ; source $(basename $1) ; cd -
  fi &> /dev/null
} 


source ${QP_ROOT}/etc/autocomplete.rc
source_if_exists "${IRPF90_PATH}/irpman-completions.bash"
Initial commit 2019-01-25 11:39:31 +01:00			`# Configuration of IRPF90 package`

			`# Set the path of IRPF90 here:`
Merge Master (#69) * 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 2019-10-21 16:45:00 +02:00			`export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.6`
Initial commit 2019-01-25 11:39:31 +01:00			`export PATH=${PATH}:${IRPF90_PATH}/bin`

			`export IRPF90=${IRPF90_PATH}/bin/irpf90`

			`function source_if_exists() {`
			`if [[ -f $1 ]]; then`
			`cd $(dirname $1) ; source $(basename $1) ; cd -`
			`fi &> /dev/null`
			`}`


			`source ${QP_ROOT}/etc/autocomplete.rc`
			`source_if_exists "${IRPF90_PATH}/irpman-completions.bash"`