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Update irpf90

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This commit is contained in:
Anthony Scemama 2020-12-06 17:03:10 +01:00
parent b14f9af26e
commit bae22bd940
2 changed files with 4 additions and 3 deletions
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5
configure vendored
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@ -22,7 +22,7 @@ BUBBLE_URL="https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3
DOCOPT_URL="https://github.com/docopt/docopt/archive/0.6.2.tar.gz" DOCOPT_URL="https://github.com/docopt/docopt/archive/0.6.2.tar.gz"
BSE_URL="https://github.com/MolSSI-BSE/basis_set_exchange/archive/v0.8.11.tar.gz" BSE_URL="https://github.com/MolSSI-BSE/basis_set_exchange/archive/v0.8.11.tar.gz"
F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
IRPF90_URL="https://gitlab.com/scemama/irpf90/-/archive/v2.0.3/irpf90-v2.0.3.tar.gz" IRPF90_URL="https://gitlab.com/scemama/irpf90/-/archive/v2.0.4/irpf90-v2.0.4.tar.gz"
LIBCAP_URL="https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz" LIBCAP_URL="https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz"
NINJA_URL="https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip" NINJA_URL="https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip"
OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh"
@ -265,7 +265,8 @@ EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file irpf90.tar.gz tar --gunzip --extract --file irpf90.tar.gz
rm irpf90.tar.gz rm irpf90.tar.gz
cd irpf90-* mv irpf90-* irpf90
cd irpf90
make make
EOF EOF

2
etc/irpf90.rc
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@ -1,7 +1,7 @@
# Configuration of IRPF90 package # Configuration of IRPF90 package
# Set the path of IRPF90 here: # Set the path of IRPF90 here:
export IRPF90_PATH=${QP_ROOT}/external/irpf90-v2.0.3 export IRPF90_PATH=${QP_ROOT}/external/irpf90
export PATH=${PATH}:${IRPF90_PATH}/bin export PATH=${PATH}:${IRPF90_PATH}/bin
export IRPF90=${IRPF90_PATH}/bin/irpf90 export IRPF90=${IRPF90_PATH}/bin/irpf90