PTEROSOR/QuantumPackage
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This commit is contained in:
Anthony Scemama 2020-02-26 09:38:30 +01:00
parent fd55b57ed7
commit 78545fe7cd
1 changed files with 10 additions and 14 deletions
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24
configure vendored
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@ -197,8 +197,6 @@ function install_lib() {
}
function install_python_lib() {
NAME=$1
shift
if [[ $(find_python2_lib $@) = $(not_found) ]] ; then
# spack add $NAME
@ -210,23 +208,21 @@ function install_spack_packages() {
spack env deactivate
spack env create qp || :
spack env activate qp
SPACK_LINE="py-pip^python@2.7:2.7.999"
# spack add py-pip^python@2.7:2.7.999
install_exe bats bats
install_exe ninja ninja
install_lib libzmq~libsodium -lzmq
install_lib f77-zmq -lzmq -lf77zmq -lpthread
install_lib gmp -lgmp
install_lib zlib -lz
install_exe opam opam
echo $SPACK_LINE
spack add $SPACK_LINE
spack add python@2.7:2.8
spack add py-docopt ^python@2.7:2.8
spack add py-resultsfile ^python@2.7:2.8
spack add py-irpf90 ^python@2.7:2.8
spack add bats
spack add ninja ^python@2.7:2.8
spack add f77-zmq ^libzmq~libsodium ^python@2.7:2.8
spack add opam^ocaml@4.09.0
spack add openblas threads=openmp
spack concretize -f
spack install
}
function install_python_packages() {
PYTHON_PACKAGES="pip install irpf90 docopt resultsFile"
PYTHON_PACKAGES="irpf90 docopt resultsFile basis-set-exchange"
pip install $PYTHON_PACKAGES
if [[ $? -ne 0 ]] ; then
pip install --user $PYTHON_PACKAGES