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Bugfix (#67)

Browse Source 
* Fixing opam installation

* Fixed 6-31 basis sets

* Bug in quickstart

* Use irpf90 v1.7.6

* Fix IRPF90 Path
This commit is contained in:
Anthony Scemama 2019-10-21 15:00:36 +02:00 committed by GitHub
parent 304c682a60
commit 1bf836d4a3
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GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 30 additions and 40 deletions
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68
configure vendored
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@ -9,6 +9,22 @@ eval set -- "$TEMP"
export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )" export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )"
echo "QP_ROOT="$QP_ROOT echo "QP_ROOT="$QP_ROOT
# When updating version, update also etc files
BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz"
BUBBLE_URL="https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3/bubblewrap-0.3.3.tar.xz"
DOCOPT_URL="https://github.com/docopt/docopt/archive/0.6.2.tar.gz"
EZFIO_URL="https://gitlab.com/scemama/EZFIO/-/archive/v1.4.0/EZFIO-v1.4.0.tar.gz"
F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
GMP_URL="ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2"
IRPF90_URL="https://gitlab.com/scemama/irpf90/-/archive/v1.7.6/irpf90-v1.7.6.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"
OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh"
RESULTS_URL="https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz"
ZEROMQ_URL="https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz"
ZLIB_URL="https://www.zlib.net/zlib-1.2.11.tar.gz"
function help() function help()
{ {
@ -183,9 +199,7 @@ for PACKAGE in ${PACKAGES} ; do
if [[ ${PACKAGE} = ninja ]] ; then if [[ ${PACKAGE} = ninja ]] ; then
download \ download ${NINJA_URL} "${QP_ROOT}"/external/ninja.zip
"https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip" \
"${QP_ROOT}"/external/ninja.zip
execute << EOF execute << EOF
rm -f "\${QP_ROOT}"/bin/ninja rm -f "\${QP_ROOT}"/bin/ninja
unzip "\${QP_ROOT}"/external/ninja.zip -d "\${QP_ROOT}"/bin unzip "\${QP_ROOT}"/external/ninja.zip -d "\${QP_ROOT}"/bin
@ -194,9 +208,7 @@ EOF
elif [[ ${PACKAGE} = gmp ]] ; then elif [[ ${PACKAGE} = gmp ]] ; then
download \ download ${GMP_URL} "${QP_ROOT}"/external/gmp.tar.bz2
"ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2" \
"${QP_ROOT}"/external/gmp.tar.bz2
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --bzip2 --extract --file gmp.tar.bz2 tar --bzip2 --extract --file gmp.tar.bz2
@ -208,9 +220,7 @@ EOF
elif [[ ${PACKAGE} = libcap ]] ; then elif [[ ${PACKAGE} = libcap ]] ; then
download \ download ${LIBCAP_URL} "${QP_ROOT}"/external/libcap.tar.gz
"https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz" \
"${QP_ROOT}"/external/libcap.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file libcap.tar.gz tar --gunzip --extract --file libcap.tar.gz
@ -221,9 +231,7 @@ EOF
elif [[ ${PACKAGE} = bwrap ]] ; then elif [[ ${PACKAGE} = bwrap ]] ; then
download \ download ${BUBBLE_URL} "${QP_ROOT}"/external/bwrap.tar.xz
"https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3/bubblewrap-0.3.3.tar.xz" \
"${QP_ROOT}"/external/bwrap.tar.xz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --xz --extract --file bwrap.tar.xz tar --xz --extract --file bwrap.tar.xz
@ -236,9 +244,7 @@ EOF
elif [[ ${PACKAGE} = irpf90 ]] ; then elif [[ ${PACKAGE} = irpf90 ]] ; then
# When changing version of irpf90, don't forget to update etc/irpf90.rc # When changing version of irpf90, don't forget to update etc/irpf90.rc
download \ download ${IRPF90_URL} "${QP_ROOT}"/external/irpf90.tar.gz
"https://gitlab.com/scemama/irpf90/-/archive/v1.7.5/irpf90-v1.7.5.tar.gz" \
"${QP_ROOT}"/external/irpf90.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file irpf90.tar.gz tar --gunzip --extract --file irpf90.tar.gz
@ -250,9 +256,7 @@ EOF
elif [[ ${PACKAGE} = zeromq ]] ; then elif [[ ${PACKAGE} = zeromq ]] ; then
download \ download ${ZEROMQ_URL} "${QP_ROOT}"/external/zeromq.tar.gz
"https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" \
"${QP_ROOT}"/external/zeromq.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file zeromq.tar.gz tar --gunzip --extract --file zeromq.tar.gz
@ -266,9 +270,7 @@ EOF
elif [[ ${PACKAGE} = f77zmq ]] ; then elif [[ ${PACKAGE} = f77zmq ]] ; then
download \ download ${F77ZMQ_URL} "${QP_ROOT}"/external/f77_zmq.tar.gz
"https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" \
"${QP_ROOT}"/external/f77_zmq.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file f77_zmq.tar.gz tar --gunzip --extract --file f77_zmq.tar.gz
@ -284,9 +286,7 @@ EOF
elif [[ ${PACKAGE} = ocaml ]] ; then elif [[ ${PACKAGE} = ocaml ]] ; then
download \ download ${OCAML_URL} "${QP_ROOT}"/external/opam_installer.sh
"https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" \
"${QP_ROOT}"/external/opam_installer.sh
if [[ -n ${TRAVIS} ]] ; then if [[ -n ${TRAVIS} ]] ; then
# Special commands for Travis CI # Special commands for Travis CI
@ -338,9 +338,7 @@ EOF
elif [[ ${PACKAGE} = ezfio ]] ; then elif [[ ${PACKAGE} = ezfio ]] ; then
download \ download ${EZFIO_URL} "${QP_ROOT}"/external/ezfio.tar.gz
"https://gitlab.com/scemama/EZFIO/-/archive/v1.4.0/EZFIO-v1.4.0.tar.gz" \
"${QP_ROOT}"/external/ezfio.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file ezfio.tar.gz tar --gunzip --extract --file ezfio.tar.gz
@ -351,9 +349,7 @@ EOF
elif [[ ${PACKAGE} = zlib ]] ; then elif [[ ${PACKAGE} = zlib ]] ; then
download \ download ${ZLIB_URL} "${QP_ROOT}"/external/zlib.tar.gz
"https://www.zlib.net/zlib-1.2.11.tar.gz" \
"${QP_ROOT}"/external/zlib.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file zlib.tar.gz tar --gunzip --extract --file zlib.tar.gz
@ -366,9 +362,7 @@ EOF
elif [[ ${PACKAGE} = docopt ]] ; then elif [[ ${PACKAGE} = docopt ]] ; then
download \ download ${DOCOPT_URL} "${QP_ROOT}"/external/docopt.tar.gz
"https://github.com/docopt/docopt/archive/0.6.2.tar.gz" \
"${QP_ROOT}"/external/docopt.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file docopt.tar.gz tar --gunzip --extract --file docopt.tar.gz
@ -379,9 +373,7 @@ EOF
elif [[ ${PACKAGE} = resultsFile ]] ; then elif [[ ${PACKAGE} = resultsFile ]] ; then
download \ download ${RESULTS_URL} "${QP_ROOT}"/external/resultsFile.tar.gz
"https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" \
"${QP_ROOT}"/external/resultsFile.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar --gunzip --extract --file resultsFile.tar.gz tar --gunzip --extract --file resultsFile.tar.gz
@ -391,9 +383,7 @@ EOF
elif [[ ${PACKAGE} = bats ]] ; then elif [[ ${PACKAGE} = bats ]] ; then
download \ download ${BATS_URL} "${QP_ROOT}"/external/bats.tar.gz
"https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" \
"${QP_ROOT}"/external/bats.tar.gz
execute << EOF execute << EOF
cd "\${QP_ROOT}"/external cd "\${QP_ROOT}"/external
tar -zxf bats.tar.gz tar -zxf bats.tar.gz

2
etc/irpf90.rc
View File

@ -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=${QP_ROOT}/external/irpf90-v1.7.5 export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.6
export PATH=${PATH}:${IRPF90_PATH}/bin export PATH=${PATH}:${IRPF90_PATH}/bin
export IRPF90=${IRPF90_PATH}/bin/irpf90 export IRPF90=${IRPF90_PATH}/bin/irpf90