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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-25 13:03:28 +01:00

Work in progress

This commit is contained in:
Anthony Scemama 2020-02-26 09:38:30 +01:00
parent fd55b57ed7
commit 78545fe7cd

24
configure vendored
View File

@ -197,8 +197,6 @@ function install_lib() {
} }
function install_python_lib() {
NAME=$1
shift shift
if [[ $(find_python2_lib $@) = $(not_found) ]] ; then if [[ $(find_python2_lib $@) = $(not_found) ]] ; then
# spack add $NAME # spack add $NAME
@ -210,23 +208,21 @@ function install_spack_packages() {
spack env deactivate spack env deactivate
spack env create qp || : spack env create qp || :
spack env activate qp spack env activate qp
SPACK_LINE="py-pip^python@2.7:2.7.999" spack add python@2.7:2.8
# spack add py-pip^python@2.7:2.7.999 spack add py-docopt ^python@2.7:2.8
install_exe bats bats spack add py-resultsfile ^python@2.7:2.8
install_exe ninja ninja spack add py-irpf90 ^python@2.7:2.8
install_lib libzmq~libsodium -lzmq spack add bats
install_lib f77-zmq -lzmq -lf77zmq -lpthread spack add ninja ^python@2.7:2.8
install_lib gmp -lgmp spack add f77-zmq ^libzmq~libsodium ^python@2.7:2.8
install_lib zlib -lz spack add opam^ocaml@4.09.0
install_exe opam opam spack add openblas threads=openmp
echo $SPACK_LINE
spack add $SPACK_LINE
spack concretize -f spack concretize -f
spack install spack install
} }
function install_python_packages() { function install_python_packages() {
PYTHON_PACKAGES="pip install irpf90 docopt resultsFile" PYTHON_PACKAGES="irpf90 docopt resultsFile basis-set-exchange"
pip install $PYTHON_PACKAGES pip install $PYTHON_PACKAGES
if [[ $? -ne 0 ]] ; then if [[ $? -ne 0 ]] ; then
pip install --user $PYTHON_PACKAGES pip install --user $PYTHON_PACKAGES