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Code Issues Releases Wiki Activity

First try of new setup

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This commit is contained in:
Thomas Applencourt 2015-06-05 22:33:19 +02:00
parent b60c7c757d
commit 4fedc72749
27 changed files with 225 additions and 499 deletions
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2
doc/code_architecture/Script.md
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@ -23,6 +23,8 @@ It have some usefull property:
- The dict of the root
- The list reduced tree (For a list of module in input return only the root)
For tree syntax you can check http://en.wikipedia.org/wiki/Tree_%28data_structure%29#Terminologies_used_in_Trees
In the cli mode:
- From a `NEEDED_CHILDREN_MODULE` file you can have all the descendant, and a png
representation who correspond.

10
install/scripts/build.sh Executable file
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@ -0,0 +1,10 @@
#!/bin/bash -x
# This script should be included
BUILD=_build/${TARGET}
rm -rf -- ${BUILD}
mkdir ${BUILD} || exit 1
tar -zxf Downloads/${TARGET}.tar.gz --strip-components=1 --directory=${BUILD} || exit 1
_install || exit 1
rm -rf -- ${BUILD} _build/${TARGET}.log
exit 0

0
scripts/install/fetch_from_web.py → install/scripts/fetch_from_web.py
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19
install/scripts/install_curl.sh Executable file
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@ -0,0 +1,19 @@
#!/bin/bash -x
TARGET=curl
function _install()
{
cd ..
QPACKAGE_ROOT=$PWD
cd -
cd ${BUILD} || return 1
mv curl.ermine ${QPACKAGE_ROOT}/bin/curl || return 1
}
BUILD=_build/${TARGET}
rm -rf -- ${BUILD}
mkdir ${BUILD} || exit 1
tar -xvjf Downloads/${TARGET}.tar.bz2 --strip-components=1 --directory=${BUILD} || exit 1
_install || exit 1
rm -rf -- ${BUILD} _build/${TARGET}.log
exit 0

10
install/scripts/install_docopt.sh Executable file
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@ -0,0 +1,10 @@
#!/bin/bash -x
TARGET=docopt
function _install()
{
cp -R ${BUILD} . || exit 1
}
source scripts/build.sh

10
install/scripts/install_emsl.sh Executable file
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@ -0,0 +1,10 @@
#!/bin/bash -x
TARGET=emsl
function _install()
{
cp -R ${BUILD} . || exit 1
}
source scripts/build.sh

16
install/scripts/install_ezfio.sh Executable file
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@ -0,0 +1,16 @@
#!/bin/bash -x
TARGET=ezfio
function _install()
{
cd ..
QPACKAGE_ROOT=$PWD
cd -
rm -rf ${QPACKAGE_ROOT}/EZFIO
cd ${BUILD}/config || return 1
cd -
mv ${BUILD} ${QPACKAGE_ROOT}/install/EZFIO || return 1
}
source scripts/build.sh

24
install/scripts/install_irpf90.sh Executable file
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@ -0,0 +1,24 @@
#!/bin/bash -x
TARGET=irpf90
function _install()
{
cd ..
QPACKAGE_ROOT=$PWD
cd -
make -C ${BUILD} || return 1
rm -rf -- ./irpf90
mv ${BUILD} . || return 1
[[ -x ./irpf90/bin/irpf90 ]] || return 1
[[ -x ./irpf90/bin/irpman ]] || return 1
rm -rf -- ../bin/irpf90 ../bin/irpman
echo 'exec ${QMCCHEM_PATH}/install/irpf90/bin/irpf90 $@' > ../bin/irpf90 || return 1
echo 'exec ${QMCCHEM_PATH}/install/irpf90/bin/irpman $@' > ../bin/irpman || return 1
chmod +x ../bin/irpf90 ../bin/irpman || return 1
return 0
}
source scripts/build.sh

15
install/scripts/install_m4.sh Executable file
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@ -0,0 +1,15 @@
#!/bin/bash -x
TARGET=m4
function _install()
{
cd ..
QPACKAGE_ROOT=$PWD
cd -
cd ${BUILD}
./configure && make || exit 1
ln -sf ${PWD}/src/m4 ${QPACKAGE_ROOT}/bin || exit 1
}
source scripts/build.sh

14
install/scripts/install_ninja.sh Executable file
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@ -0,0 +1,14 @@
#!/bin/bash -x
TARGET=ninja
function _install()
{
cd ${BUILD} || return 1
./configure.py --bootstrap || return 1
cd -
mv ${BUILD}/ninja ../bin/ || return 1
return 0
}
source scripts/build.sh

41
install/scripts/install_ocaml.sh Executable file
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@ -0,0 +1,41 @@
#!/bin/bash -x
PACKAGES="core cryptokit ocamlfind sexplib"
declare -i i
i=$(gcc -dumpversion | cut -d '.' -f 2)
if [[ i -lt 6 ]]
then
echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required."
exit 1
fi
cd ..
QPACKAGE_ROOT=$PWD
cd -
cd Downloads || exit 1
chmod +x ocaml.sh || exit 1
if [[ -d ${HOME}/.opam ]]
then
source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true
fi
echo N | ./ocaml.sh ${QPACKAGE_ROOT}/bin/ || exit 1
if [[ ! -f ${QPACKAGE_ROOT}/bin/opam ]]
then
echo "Installation of OPAM failed"
exit 2
fi
${QPACKAGE_ROOT}/bin/opam config setup -a --dot-profile ${QPACKAGE_ROOT}/qmcchemrc || exit 1
touch ${QPACKAGE_ROOT}/bin/opam
export LD_LIBRARY_PATH=${QPACKAGE_ROOT}/lib:${LD_LIBRARY_PATH}
export LIBRARY_PATH=${QPACKAGE_ROOT}/lib:${LIBRARY_PATH}
export C_INCLUDE_PATH=${QPACKAGE_ROOT}/lib:${C_INCLUDE_PATH}
opam install ${PACKAGES} || exit 1
rm -f ../_build/ocaml.log
exit 0

19
install/scripts/install_patch.sh Executable file
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@ -0,0 +1,19 @@
#!/bin/bash -x
TARGET=patch
function _install()
{
mkdir ${TARGET}
cd ..
QPACKAGE_ROOT=$PWD
cd -
cd ${BUILD}
./configure --prefix=${QPACKAGE_ROOT}/install/${TARGET} && make || exit 1
make install || exit 1
cd -
cp ${TARGET}/bin/${TARGET} ${QPACKAGE_ROOT}/bin || exit 1
rm -R -- ${TARGET} || exit 1
}
source scripts/build.sh

11
install/scripts/install_resultsFile.sh Executable file
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@ -0,0 +1,11 @@
#!/bin/bash -x
TARGET=resultsFile
function _install()
{
cp -R ${BUILD} . || exit 1
}
source scripts/build.sh

16
install/scripts/install_zlib.sh Executable file
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@ -0,0 +1,16 @@
#!/bin/bash -x
TARGET=zlib
function _install()
{
mkdir ${TARGET} || exit 1
cd ..
QPACKAGE_ROOT=$PWD
cd -
cd ${BUILD}
./configure && make || exit 1
make install prefix=$QPACKAGE_ROOT/install/${TARGET} || exit 1
}
source scripts/build.sh

62
scripts/cache_compile.py
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@ -1,62 +0,0 @@
#!/usr/bin/env python
import os
import sys
import shelve
import hashlib
import re
r = re.compile(ur'-c\s+(\S+\.[fF]90)\s+-o\s+(\S+\.o)')
p = re.compile(ur'-I IRPF90_temp/\S*\s+')
mod = re.compile(ur'module\s+(?P<mod>\S+).+end\s?module\s+(?P=mod)?', re.MULTILINE | re.IGNORECASE)
TMPDIR="/tmp/qp_compiler/"
def main():
# Create temp directory
if "qp_compiler" not in os.listdir("/tmp"):
os.mkdir("/tmp/qp_compiler/")
line = sys.argv[1:]
command = " ".join(line)
command_clean = p.sub('',command)
try:
match = r.search(command_clean)
input = match.group(1)
output = match.group(2)
except:
os.system(command)
return
m = hashlib.md5()
# Fread : read input
with open(input,'r') as file:
fread = file.read()
m.update( " ".join( [ command, fread ] ))
# Md5 Key containing command + content of Fread
key = TMPDIR+m.hexdigest()
try:
# Try to return the content of the .o file
with open(key,'r') as file:
result = file.read()
except IOError:
# Compile the file -> .o
os.system(command)
# Read the .o
with open(output,'r') as file:
result = file.read()
# Copy the .o in database
if not mod.search(fread.replace('\n',' ')):
with open(key,'w') as file:
file.write(result)
else:
print input+' -> module'
else:
# Write the .o file
with open(output,'w') as file:
file.write(result)
if __name__ == '__main__':
main()

26
scripts/compilation/qp_create_ninja.py
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@ -296,7 +296,7 @@ def ninja_symlink_build(path_module, l_symlink):
# o ._ ._ _|_ (_| / \ ._ _ _. | _
# | | |_) | | \_/ o | | | (_| |< (/_
# |
def get_l_file_for_module(path_module_abs):
def get_l_file_for_module(path_module):
'''
return the list of irp.f in a module
'''
@ -306,17 +306,17 @@ def get_l_file_for_module(path_module_abs):
l_template = []
for f in os.listdir(path_module_abs):
for f in os.listdir(path_module.abs):
if f.lower().endswith(tuple([".template.f", ".include.f"])):
l_template.append(join(path_module_abs, f))
l_template.append(join(path_module.abs, f))
elif f.endswith(".irp.f"):
l_irp.append(join(path_module_abs, f))
l_irp.append(join(path_module.abs, f))
elif f.lower().endswith(tuple([".f", ".f90", ".c", ".cpp", ".cxx"])):
l_src.append(join(path_module_abs, f))
l_src.append(f)
obj = '{0}.o'.format(os.path.splitext(f)[0])
l_obj.append(join(path_module_abs, obj))
l_obj.append(obj)
elif f == "EZFIO.cfg":
l_irp.append(join(path_module_abs, "ezfio_interface.irp.f"))
l_irp.append(join(path_module.abs, "ezfio_interface.irp.f"))
d = {"l_irp": l_irp,
"l_src": l_src,
@ -334,11 +334,19 @@ def get_file_dependency(d_info_module):
for module, l_children in d_info_module.iteritems():
for key, values in get_l_file_for_module(module.abs).iteritems():
for key, values in get_l_file_for_module(module).iteritems():
if key in ["l_src"]:
values = [join(module.abs,o) for o in values]
if key in ["l_obj"]:
values = [join(module.abs,"IRPF90_temp",o) for o in values]
d_irp[module][key] = values
for children in l_children:
for key, values in get_l_file_for_module(children.abs).iteritems():
for key, values in get_l_file_for_module(children).iteritems():
if key in ["l_src"]:
values = [join(module.abs,children.rel,o) for o in values]
if key in ["l_obj"]:
values = [join(module.abs,"IRPF90_temp",children.rel,o) for o in values]
d_irp[module][key].extend(values)
return d_irp

31
scripts/install/install_curl.sh
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@ -1,31 +0,0 @@
#!/bin/bash
#
# Installs curl for ocaml
# Mon Jan 12 18:52:48 CET 2015
CURL="curl-7.30.0.ermine"
CURL_URL="http://qmcchem.ups-tlse.fr/files/scemama/${CURL}.tar.bz2"
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit -1
fi
cd ${QPACKAGE_ROOT}
curl -kL "https://github.com/LCPQ/quantum_package" &> /dev/null
if [[ $? -eq 0 ]]
then
exit 0
fi
rm -f -- ${QPACKAGE_ROOT}/bin/curl
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${CURL_URL} CURL.tar.bz2
tar -jxf CURL.tar.bz2 && rm CURL.tar.bz2 ||exit 1
cd ${CURL} || exit 1
mv curl.ermine ${QPACKAGE_ROOT}/bin/curl
cd ${QPACKAGE_ROOT}
rm -rf -- ${CURL}

21
scripts/install/install_docopt.sh
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@ -1,21 +0,0 @@
#!/bin/bash
#
# Installs docopt
# lundi 27 avril 2015, 16:51:34 (UTC+0200)
DOCOPT="docopt.py"
DOCOPT_URL="https://raw.githubusercontent.com/docopt/docopt/master/${DOCOPT}"
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit -1
fi
cd ${QPACKAGE_ROOT}
rm -f -- scripts/${DOCOPT}{,c}
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${DOCOPT_URL} ${DOCOPT}
mv ${DOCOPT} scripts/utility/${DOCOPT}

23
scripts/install/install_emsl.sh
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@ -1,23 +0,0 @@
#!/bin/bash
#
# Installs EMSL_Basis_Set_Exchange_Local
# Mon Jan 12 12:57:19 CET 2015
BASE="EMSL_Basis_Set_Exchange_Local"
URL="https://github.com/LCPQ/${BASE}/archive/master.tar.gz"
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit -1
fi
cd ${QPACKAGE_ROOT}
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
rm -rf EMSL_Basis
mv ${BASE}-master EMSL_Basis

24
scripts/install/install_ezfio.sh
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@ -1,24 +0,0 @@
#!/bin/bash
#
# Installs EZFIO
# Mon Jan 12 16:06:44 CET 2015
BASE="ezfio"
URL="https://github.com/LCPQ/${BASE}/archive/master.tar.gz"
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit -1
fi
cd ${QPACKAGE_ROOT}
rm -rf -- EZFIO
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
mv EZFIO-master EZFIO

29
scripts/install/install_irpf90.sh
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@ -1,29 +0,0 @@
#!/bin/bash
#
# Installs irpf90
# Mon Jan 12 16:00:20 CET 2015
BASE="irpf90"
URL="https://github.com/LCPQ/${BASE}/archive/master.tar.gz"
# Check the QPACKAGE_ROOT directory
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit 1
fi
cd ${QPACKAGE_ROOT}
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
mv ${BASE}-master irpf90
make -C irpf90
rm -rf -- bin/irpf90 bin/irpman
echo '${QPACKAGE_ROOT}/irpf90/bin/irpf90 $@' > bin/irpf90
echo '${QPACKAGE_ROOT}/irpf90/bin/irpman $@' > bin/irpman
chmod +x bin/irpf90 bin/irpman

31
scripts/install/install_m4.sh
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@ -1,31 +0,0 @@
#!/bin/bash
#
# Installs m4 for ocaml
# Thu Oct 23 22:02:08 CEST 2014
M4_URL="http://ftp.gnu.org/gnu/m4/m4-latest.tar.gz"
M4=$(which m4)
# Check the QPACKAGE_ROOT directory
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit 1
fi
cd ${QPACKAGE_ROOT}
rm -f l${QPACKAGE_ROOT}/bin/m4
if [[ -z ${M4} ]]
then
rm -f -- bin/m4
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${M4_URL} M4.tar.gz
tar -zxf M4.tar.gz && rm M4.tar.gz ||exit 1
cd m4* || exit 1
./configure && make || exit 1
ln -s ${PWD}/src/m4 ${QPACKAGE_ROOT}/bin
else
ln -s ${M4} ${QPACKAGE_ROOT}/bin/m4
fi

23
scripts/install/install_ninja.sh
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@ -1,23 +0,0 @@
#!/bin/bash
#
# Installs the ninja build system
# Thu May 28 13:21:16 CEST 2015
BASE="ninja"
URL="https://github.com/martine/ninja/archive/master.tar.gz"
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit -1
fi
cd ${QPACKAGE_ROOT}
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
rm -rf ${BASE}
mv ${BASE}-master ${BASE}
cd ${BASE}
./configure.py --bootstrap

67
scripts/install/install_ocaml.sh
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@ -1,67 +0,0 @@
#!/bin/bash
#
# Downloads and installs ocaml, opam and core library
# Thu Oct 23 21:58:40 CEST 2014
PACKAGES="core cryptokit"
OPAM_BASE=$HOME/.opam
# Check the QPACKAGE_ROOT directory
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit 1
fi
cd ${QPACKAGE_ROOT}
if [[ -f quantum_package.rc ]]
then
source quantum_package.rc
fi
make -C ocaml Qptypes.ml &> /dev/null
if [[ $? -ne 0 ]]
then
if [[ -d ${OPAM_BASE} ]]
then
echo "${OPAM_BASE} exists."
echo "Re-install ? [y/N]"
while read -r -n 1 -s answer; do
if [[ $answer = [YyNn] ]]; then
if [[ $answer = [Yy] ]] ; then
echo " - Remove your directory ${OPAM_BASE}"
echo " - Restart setup"
exit 1
fi
if [[ $answer = [Nn] ]] ; then
make -C ocaml Qptypes.ml
exit 0
fi
fi
done
fi
fi
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py \
"https://raw.github.com/ocaml/opam/master/shell/opam_installer.sh" opam_installer.sh
chmod +x opam_installer.sh
echo N | ./opam_installer.sh ${QPACKAGE_ROOT}/bin
if [[ ! -f ${QPACKAGE_ROOT}/bin/opam ]]
then
echo "Installation of OPAM failed"
exit 2
fi
rm -f opam_installer.sh
${QPACKAGE_ROOT}/bin/opam config setup -a --dot-profile ${QPACKAGE_ROOT}/quantum_package.rc
source ${QPACKAGE_ROOT}/quantum_package.rc
echo Y | opam install ${PACKAGES}
make -C ocaml Qptypes.ml
exit 0

24
scripts/install/install_resultsFile.sh
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@ -1,24 +0,0 @@
#!/bin/bash
#
# Installs the resultsFile Python library
# Mon Jan 19 15:08:18 CET 2015
URL="https://github.com/LCPQ/resultsFile/archive/master.tar.gz"
# Check the QPACKAGE_ROOT directory
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit 1
fi
cd ${QPACKAGE_ROOT}
rm -rf resultsFile-master
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/resultsFile.tar.gz
tar -zxf resultsFile.tar.gz && rm resultsFile.tar.gz ||exit 1
mv resultsFile-master resultsFile

38
scripts/install/install_zlib.sh
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@ -1,38 +0,0 @@
#!/bin/bash
#
# Installs zlib for ocaml cryptokit
# Mon Jan 12 18:52:48 CET 2015
ZLIB="zlib-1.2.8"
ZLIB_URL="http://zlib.net/${ZLIB}.tar.gz"
# Check the QPACKAGE_ROOT directory
if [[ -z ${QPACKAGE_ROOT} ]]
then
echo "The QPACKAGE_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit 1
fi
cd ${QPACKAGE_ROOT}
cat > /tmp/main.c << EOF
int main () {}
EOF
gcc /tmp/main.c -lz
if [[ $? -eq 0 ]]
then
rm /tmp/main.c "a.out"
exit 0
fi
rm /tmp/main.c
${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${ZLIB_URL} ZLIB.tar.gz
tar -zxf ZLIB.tar.gz && rm ZLIB.tar.gz ||exit 1
cd ${ZLIB} || exit 1
./configure && make
make install prefix=$QPACKAGE_ROOT
cd ${QPACKAGE_ROOT}
rm -rf -- ${ZLIB}

116
setup_environment.sh
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@ -1,116 +0,0 @@
#!/bin/bash
#
# Setup script. Downloads dependencies if they are not already present
# in the current installation.
# Thu Oct 23 22:02:08 CEST 2014
BLUE=""
RED=""
BLACK="(B"
QPACKAGE_ROOT="$( cd "$(dirname "$BASH_SOURCE")" ; pwd -P )"
cat << EOF > quantum_package.rc
export QPACKAGE_ROOT=\$( cd \$(dirname "\${BASH_SOURCE}") ; pwd -P )
export IRPF90="\${QPACKAGE_ROOT}/bin/irpf90"
export LD_LIBRARY_PATH="\${QPACKAGE_ROOT}"/lib:\${LD_LIBRARY_PATH}
export LIBRARY_PATH="\${QPACKAGE_ROOT}"/lib:\${LIBRARY_PATH}
export C_INCLUDE_PATH="\${QPACKAGE_ROOT}"/include:\${C_INCLUDE_PATH}
export PYTHONPATH=\${PYTHONPATH}\$(find "\${QPACKAGE_ROOT}"/scripts -type d -printf ":%p")
export PATH=\${PATH}\$(find "\${QPACKAGE_ROOT}"/scripts -type d -printf ":%p")
export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/bin
export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/ocaml
export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/ninja
source "\${QPACKAGE_ROOT}"/bin/irpman &> /dev/null
EOF
source quantum_package.rc
mkdir -p install_logs
echo "${BLUE}===== Installing IRPF90 ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_irpf90.sh | tee ${QPACKAGE_ROOT}/install_logs/install_irpf90.log
if [[ ! -d ${QPACKAGE_ROOT}/irpf90 ]] || [[ ! -x ${QPACKAGE_ROOT}/bin/irpf90 ]] || [[ ! -x ${QPACKAGE_ROOT}/bin/irpman ]]
then
echo $RED "Error in IRPF90 installation" $BLACK
exit 1
fi
mkdir -p ${QPACKAGE_ROOT}/install_logs
echo "${BLUE}===== Installing Ninja ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_ninja.sh | tee ${QPACKAGE_ROOT}/install_logs/install_ninja.log
echo "${BLUE}===== Installing Zlib ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_zlib.sh | tee ${QPACKAGE_ROOT}/install_logs/install_zlib.log
echo "${BLUE}===== Installing Curl ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_curl.sh | tee ${QPACKAGE_ROOT}/install_logs/install_curl.log
echo "${BLUE}===== Installing M4 ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_m4.sh | tee ${QPACKAGE_ROOT}/install_logs/install_m4.log
echo "${BLUE}===== Installing Docopt ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_docopt.sh | tee ${QPACKAGE_ROOT}/install_logs/install_docopt.log
echo "${BLUE}===== Installing EMSL Basis set library ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_emsl.sh | tee ${QPACKAGE_ROOT}/install_logs/install_emsl.log
if [[ ! -d ${QPACKAGE_ROOT}/EMSL_Basis ]]
then
echo $RED "Error in EMSL Basis set library installation" $BLACK
exit 1
fi
echo "${BLUE}===== Installing EZFIO ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_ezfio.sh | tee ${QPACKAGE_ROOT}/install_logs/install_ezfio.log
if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
then
echo $RED "Error in EZFIO installation" $BLACK
exit 1
fi
echo "${BLUE}===== Installing Ocaml compiler and libraries ===== ${BLACK}"
rm -f -- ocaml/Qptypes.ml
${QPACKAGE_ROOT}/scripts/install/install_ocaml.sh | tee ${QPACKAGE_ROOT}/install_logs/install_ocaml.log
if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]]
then
echo $RED "Error in Ocaml installation" $BLACK
exit 1
fi
echo "${BLUE}===== Installing resultsFile Python library ===== ${BLACK}"
${QPACKAGE_ROOT}/scripts/install/install_resultsFile.sh
if [[ ! -d ${QPACKAGE_ROOT}/resultsFile ]]
then
echo $RED "Error in resultsFile installation" $BLACK
exit 1
fi
echo $RED "
=======================================================
To complete the installation, add the following line to
your ~/.bashrc:
source ${QPACKAGE_ROOT}/quantum_package.rc
=======================================================
" $BLACK
if [[ $1 == "--robot" ]] ;
then
exit 0
else
source quantum_package.rc
exec bash
fi