mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-02 09:58:24 +01:00
Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable
This commit is contained in:
commit
bcdc172aec
4
bin/python
Executable file
4
bin/python
Executable file
@ -0,0 +1,4 @@
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#!/bin/bash
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exec python3 $@
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@ -127,6 +127,7 @@ def main(arguments):
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l_repository = list(d_tmp.keys())
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if l_repository == []:
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l_result = []
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l_plugins = []
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else:
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m_instance = ModuleHandler(l_repository)
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l_plugins = [module for module in m_instance.l_module]
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3
bin/qpsh
3
bin/qpsh
@ -1,6 +1,7 @@
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#!/bin/bash
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export QP_ROOT=$(dirname "$(readlink -f "$0")")/..
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REALPATH=$( cd "$(dirname "$0")" ; pwd -P )
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export QP_ROOT=${REALPATH}/..
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bash --init-file <(cat << EOF
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[[ -f /etc/bashrc ]] && source /etc/bashrc
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23
bin/zcat
Executable file
23
bin/zcat
Executable file
@ -0,0 +1,23 @@
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#!/bin/bash
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# On Darwin: try gzcat if available, otherwise use Python
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if [[ $(uname -s) = Darwin ]] ; then
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which gzcat &> /dev/null
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if [[ $? -eq 0 ]] ; then
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exec gzcat $@
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else
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exec python3 << EOF
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import sys
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import gzip
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with gzip.open("$1", "rt") as f:
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print(f.read())
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EOF
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fi
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else
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SCRIPTPATH="$( cd -- "$(dirname "$0")" >/dev/null 2>&1 ; pwd -P )"
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command=$(which -a zcat | grep -v "$SCRIPTPATH/" | head -1)
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exec $command $@
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fi
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@ -10,7 +10,7 @@
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#
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#
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[COMMON]
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -march=native
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -march=native -std=legacy
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LAPACK_LIB : -lblas -llapack
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
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@ -13,7 +13,7 @@
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#
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#
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[COMMON]
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -march=native
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -march=native -std=legacy
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LAPACK_LIB : -larmpl_lp64_mp
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
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@ -10,7 +10,7 @@
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#
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#
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[COMMON]
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FC : gfortran -ffree-line-length-none -I . -mavx -g -fPIC
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FC : gfortran -ffree-line-length-none -I . -mavx -g -fPIC -std=legacy
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LAPACK_LIB : -llapack -lblas
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 -DSET_NESTED
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@ -10,7 +10,7 @@
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#
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#
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[COMMON]
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FC : gfortran -g -ffree-line-length-none -I . -fPIC
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -std=legacy
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LAPACK_LIB : -lblas -llapack
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
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62
config/gfortran_macos.cfg
Normal file
62
config/gfortran_macos.cfg
Normal file
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# Common flags
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##############
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#
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# -ffree-line-length-none : Needed for IRPF90 which produces long lines
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# -lblas -llapack : Link with libblas and liblapack libraries provided by the system
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# -I . : Include the curent directory (Mandatory)
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#
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# --ninja : Allow the utilisation of ninja. (Mandatory)
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# --align=32 : Align all provided arrays on a 32-byte boundary
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#
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#
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[COMMON]
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FC : gfortran -ffree-line-length-none -I . -g -fPIC -std=legacy
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LAPACK_LIB : -llapack -lblas
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 -DSET_NESTED -DMACOS
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# Global options
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################
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#
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# 1 : Activate
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# 0 : Deactivate
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#
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[OPTION]
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MODE : OPT ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
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CACHE : 0 ; Enable cache_compile.py
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OPENMP : 1 ; Append OpenMP flags
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# Optimization flags
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####################
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#
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# -Ofast : Disregard strict standards compliance. Enables all -O3 optimizations.
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# It also enables optimizations that are not valid
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# for all standard-compliant programs. It turns on
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# -ffast-math and the Fortran-specific
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# -fno-protect-parens and -fstack-arrays.
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[OPT]
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FCFLAGS : -Ofast -march=native
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# Profiling flags
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#################
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#
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[PROFILE]
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FC : -p -g
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FCFLAGS : -Ofast
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# Debugging flags
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#################
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#
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# -fcheck=all : Checks uninitialized variables, array subscripts, etc...
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# -g : Extra debugging information
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#
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[DEBUG]
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FCFLAGS : -fcheck=all -g
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# OpenMP flags
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#################
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#
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[OPENMP]
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FC : -fopenmp
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IRPF90_FLAGS : --openmp
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@ -10,7 +10,7 @@
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#
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#
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[COMMON]
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FC : mpif90 -ffree-line-length-none -I . -g -fPIC
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FC : mpif90 -ffree-line-length-none -I . -g -fPIC -std=legacy
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LAPACK_LIB : -lblas -llapack
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 -DMPI -DSET_NESTED
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@ -10,7 +10,7 @@
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#
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#
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[COMMON]
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -march=native
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FC : gfortran -g -ffree-line-length-none -I . -fPIC -march=native -std=legacy
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LAPACK_LIB : -lopenblas
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
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19
configure
vendored
19
configure
vendored
@ -19,7 +19,11 @@ git submodule init
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git submodule update
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# Update ARM or x86 dependencies
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ARCHITECTURE=$(uname -m)
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SYSTEM=$(uname -s)
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if [[ $SYSTEM = "Linux" ]] ; then
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SYSTEM=""
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fi
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ARCHITECTURE=$(uname -m)$SYSTEM
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cd ${QP_ROOT}/external/qp2-dependencies
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git checkout master
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git pull
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@ -191,7 +195,7 @@ if [[ "${PACKAGES}.x" != ".x" ]] ; then
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fi
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if [[ ${PACKAGES} = all ]] ; then
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PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats trexio qmckl"
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PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats trexio"
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fi
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@ -275,6 +279,7 @@ EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file qp2-dependencies/zeromq-4.2.5.tar.gz
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cd zeromq-*
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[[ "${SYSTEM}" = "Darwin" ]] && ./autogen.sh
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./configure --prefix="\$QP_ROOT" --without-libsodium --enable-libunwind=no
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make -j 8
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make install
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@ -397,11 +402,11 @@ if [[ ${TREXIO} = $(not_found) ]] ; then
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fail
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fi
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QMCKL=$(find_lib -lqmckl)
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if [[ ${QMCKL} = $(not_found) ]] ; then
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error "QMCkl (qmckl | qmckl-intel) is not installed."
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fail
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fi
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#QMCKL=$(find_lib -lqmckl)
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#if [[ ${QMCKL} = $(not_found) ]] ; then
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# error "QMCkl (qmckl | qmckl-intel) is not installed."
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# fail
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#fi
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F77ZMQ=$(find_lib -lzmq -lf77zmq -lpthread)
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if [[ ${F77ZMQ} = $(not_found) ]] ; then
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@ -32,7 +32,7 @@ export PYTHONPATH=$(qp_prepend_export "PYTHONPATH" "${QP_EZFIO}/Python":"${QP_PY
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export PATH=$(qp_prepend_export "PATH" "${QP_PYTHON}":"${QP_ROOT}"/bin:"${QP_ROOT}"/ocaml)
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export LD_LIBRARY_PATH=$(qp_prepend_export "LD_LIBRARY_PATH" "${QP_ROOT}"/lib)
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export LD_LIBRARY_PATH=$(qp_prepend_export "LD_LIBRARY_PATH" "${QP_ROOT}"/lib:"${QP_ROOT}"/lib64)
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export LIBRARY_PATH=$(qp_prepend_export "LIBRARY_PATH" "${QP_ROOT}"/lib:"${QP_ROOT}"/lib64)
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|
1
plugins/.gitignore
vendored
1
plugins/.gitignore
vendored
@ -1,2 +1 @@
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*
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|
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