LCPQ
/
qp2
mirror of https://github.com/QuantumPackage/qp2.git
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add qp2-dependencies

This commit is contained in:
Anthony Scemama 2021-07-05 18:15:26 +02:00
parent 49fc21a9fa
commit 6773acac06
5 changed files with 19 additions and 154 deletions
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3
.gitmodules vendored
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@ -4,3 +4,6 @@
[submodule "external/irpf90"]
path = external/irpf90
url = https://gitlab.com/scemama/irpf90.git
[submodule "external/qp2-dependencies"]
path = external/qp2-dependencies
url = git@github.com:QuantumPackage/qp2-dependencies.git

123
configure vendored
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@ -18,18 +18,6 @@ export CC=gcc
git submodule init
git submodule update
# /!\ When updating version, update also etc files
BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.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"
F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.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/v2.0/resultsFile-v2.0.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()
{
cat <<EOF
@ -39,7 +27,6 @@ Usage:
$(basename $0) -c <file> | --config=<file>
$(basename $0) -h | --help
$(basename $0) -i <package> | --install=<package>
$(basename $0) -d <package> | --download=<package>
Options:
-c, --config=<file> Define a COMPILATION configuration file,
@ -48,9 +35,6 @@ Options:
-i, --install=<package> INSTALL <package>. Use at your OWN RISK:
no support will be provided for the installation of
dependencies.
-d, --download=<package> DOWNLOAD <package>. Use at your OWN RISK:
no support will be provided for the installation of
dependencies.
Example:
./$(basename $0) -c config/gfortran.cfg
@ -102,14 +86,6 @@ while true ; do
case "$2" in
"") help ; break;;
*) PACKAGES="${PACKAGE} $2"
DO_INSTALL=1
esac
shift 2;;
-d|--download)
case "$2" in
"") help ; break;;
*) PACKAGES="${PACKAGE} $2"
DO_DOWNLOAD=1
esac
shift 2;;
-h|-help|--help)
@ -143,16 +119,6 @@ function success() {
exit 0
}
function download() {
echo "Downloading $1"
echo ""
printf "\e[0;34m"
wget --no-check-certificate $1 --output-document=$2 || error "Unable to download $1"
printf "\e[m"
echo "Saved dowloaded file as $2"
echo ""
}
function not_found() {
echo 'not_found'
}
@ -222,61 +188,41 @@ for PACKAGE in ${PACKAGES} ; do
if [[ ${PACKAGE} = ninja ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${NINJA_URL} "${QP_ROOT}"/external/ninja.zip
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
rm -f "\${QP_ROOT}"/bin/ninja
unzip "\${QP_ROOT}"/external/ninja.zip -d "\${QP_ROOT}"/bin
unzip "\${QP_ROOT}"/external/qp2-dependencies/ninja.zip -d "\${QP_ROOT}"/bin
EOF
fi
elif [[ ${PACKAGE} = gmp ]] ; then
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar --bzip2 --extract --file gmp-6.1.2.tar.bz2
tar --bzip2 --extract --file qp2-dependencies/gmp-6.1.2.tar.bz2
cd gmp-6.1.2
./configure --prefix=$QP_ROOT && make -j 8
make install
make -j 8 install
EOF
fi
elif [[ ${PACKAGE} = zeromq ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${ZEROMQ_URL} "${QP_ROOT}"/external/zeromq.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
export CC=gcc
export CXX=g++
cd "\${QP_ROOT}"/external
tar --gunzip --extract --file zeromq.tar.gz
rm zeromq.tar.gz
tar --gunzip --extract --file qp2-dependencies/zeromq-4.2.5.tar.gz
cd zeromq-*
./configure --prefix="\$QP_ROOT" --without-libsodium --enable-libunwind=no
make
make -j 8
make install
EOF
fi
elif [[ ${PACKAGE} = f77zmq ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${F77ZMQ_URL} "${QP_ROOT}"/external/f77_zmq.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar --gunzip --extract --file f77_zmq.tar.gz
rm f77_zmq.tar.gz
tar --gunzip --extract --file qp2-dependencies/f77_zmq-4.2.5.tar.gz
cd f77_zmq-*
export ZMQ_H="\$QP_ROOT"/include/zmq.h
make
@ -284,100 +230,61 @@ EOF
cp libf77zmq.so "\${QP_ROOT}"/lib
cp f77_zmq_free.h "\${QP_ROOT}"/include
EOF
fi
elif [[ ${PACKAGE} = ocaml ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${OCAML_URL} "${QP_ROOT}"/external/ocaml-bundle.sh
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute <<EOF
source "${QP_ROOT}"/quantum_package.rc
cd "${QP_ROOT}"/external/
cat << EOF | ./ocaml-bundle.sh
tar --gunzip --extract --file qp2-dependencies/ocaml-bundle_x86.tar.gz
echo | ./ocaml-bundle/compile.sh "${QP_ROOT}"
EOF
fi
elif [[ ${PACKAGE} = bse ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${BSE_URL} "${QP_ROOT}"/external/bse.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar --gunzip --extract --file bse.tar.gz
tar --gunzip --extract --file qp2-dependencies/bse-v0.8.11.tar.gz
pip install -e basis_set_exchange-*
EOF
fi
elif [[ ${PACKAGE} = zlib ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${ZLIB_URL} "${QP_ROOT}"/external/zlib.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar --gunzip --extract --file zlib.tar.gz
rm zlib.tar.gz && \
tar --gunzip --extract --file qp2-dependencies/zlib-1.2.11.tar.gz
cd zlib-*/
./configure --prefix=${QP_ROOT} && \
make && make install
EOF
fi
elif [[ ${PACKAGE} = docopt ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${DOCOPT_URL} "${QP_ROOT}"/external/docopt.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar --gunzip --extract --file docopt.tar.gz
tar --gunzip --extract --file qp2-dependencies/docopt-0.6.2.tar.gz
mv docopt-*/docopt.py "\${QP_ROOT}/external/Python"
rm --recursive --force -- docopt-*/ docopt.tar.gz
EOF
fi
elif [[ ${PACKAGE} = resultsFile ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${RESULTS_URL} "${QP_ROOT}"/external/resultsFile.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar --gunzip --extract --file resultsFile.tar.gz
tar --gunzip --extract --file qp2-dependencies/resultsFile-v2.0.tar.gz
mv resultsFile-*/resultsFile "\${QP_ROOT}/external/Python/"
rm --recursive --force resultsFile-* resultsFile.tar.gz
EOF
fi
elif [[ ${PACKAGE} = bats ]] ; then
if [[ $DO_DOWNLOAD == 1 ]] ; then
download ${BATS_URL} "${QP_ROOT}"/external/bats.tar.gz
fi
if [[ $DO_INSTALL == 1 ]] ; then
execute << EOF
cd "\${QP_ROOT}"/external
tar -zxf bats.tar.gz
tar -zxf qp2-dependencies/bats-v1.1.0.tar.gz
( cd bats-core-1.1.0/ ; ./install.sh \${QP_ROOT})
rm --recursive --force -- bats-core-1.1.0 \ "\${QP_ROOT}"/external/bats.tar.gz
EOF
fi
else
error "${PACKAGE} unknown."

46
external/Python/.gitignore vendored
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@ -1,46 +0,0 @@
# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
# C extensions
*.so
# Distribution / packaging
.Python
env/
build/
develop-eggs/
dist/
downloads/
eggs/
# PyInstaller
# Usually these files are written by a python script from a template
# before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec
# Installer logs
pip-log.txt
pip-delete-this-directory.txt
# Unit test / coverage reports
htmlcov/
.tox/
.coverage
.cache
nosetests.xml
coverage.xml
# Translations
*.mo
*.pot
# Django stuff:
*.log
# Sphinx documentation
docs/_build/
# PyBuilder
target/

BIN
external/gmp-6.1.2.tar.bz2 vendored
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1
external/qp2-dependencies vendored Submodule

@ -0,0 +1 @@
Subproject commit dfbf99abe97c44e05683baba078c1005675f7cf2