First try of new setup
This commit is contained in:
Thomas Applencourt
parent
b60c7c757d
commit
4fedc72749
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@ -23,6 +23,8 @@ It have some usefull property:
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- The dict of the root
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- The list reduced tree (For a list of module in input return only the root)
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For tree syntax you can check http://en.wikipedia.org/wiki/Tree_%28data_structure%29#Terminologies_used_in_Trees
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In the cli mode:
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- From a `NEEDED_CHILDREN_MODULE` file you can have all the descendant, and a png
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representation who correspond.
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@ -0,0 +1,10 @@
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#!/bin/bash -x
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# This script should be included
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BUILD=_build/${TARGET}
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rm -rf -- ${BUILD}
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mkdir ${BUILD} || exit 1
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tar -zxf Downloads/${TARGET}.tar.gz --strip-components=1 --directory=${BUILD} || exit 1
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_install || exit 1
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rm -rf -- ${BUILD} _build/${TARGET}.log
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exit 0
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@ -0,0 +1,19 @@
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#!/bin/bash -x
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TARGET=curl
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function _install()
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{
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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cd ${BUILD} || return 1
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mv curl.ermine ${QPACKAGE_ROOT}/bin/curl || return 1
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}
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BUILD=_build/${TARGET}
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rm -rf -- ${BUILD}
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mkdir ${BUILD} || exit 1
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tar -xvjf Downloads/${TARGET}.tar.bz2 --strip-components=1 --directory=${BUILD} || exit 1
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_install || exit 1
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rm -rf -- ${BUILD} _build/${TARGET}.log
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exit 0
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@ -0,0 +1,10 @@
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#!/bin/bash -x
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TARGET=docopt
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function _install()
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{
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cp -R ${BUILD} . || exit 1
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}
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source scripts/build.sh
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@ -0,0 +1,10 @@
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#!/bin/bash -x
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TARGET=emsl
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function _install()
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{
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cp -R ${BUILD} . || exit 1
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}
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source scripts/build.sh
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@ -0,0 +1,16 @@
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#!/bin/bash -x
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TARGET=ezfio
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function _install()
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{
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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rm -rf ${QPACKAGE_ROOT}/EZFIO
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cd ${BUILD}/config || return 1
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cd -
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mv ${BUILD} ${QPACKAGE_ROOT}/install/EZFIO || return 1
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}
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source scripts/build.sh
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@ -0,0 +1,24 @@
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#!/bin/bash -x
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TARGET=irpf90
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function _install()
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{
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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make -C ${BUILD} || return 1
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rm -rf -- ./irpf90
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mv ${BUILD} . || return 1
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[[ -x ./irpf90/bin/irpf90 ]] || return 1
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[[ -x ./irpf90/bin/irpman ]] || return 1
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rm -rf -- ../bin/irpf90 ../bin/irpman
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echo 'exec ${QMCCHEM_PATH}/install/irpf90/bin/irpf90 $@' > ../bin/irpf90 || return 1
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echo 'exec ${QMCCHEM_PATH}/install/irpf90/bin/irpman $@' > ../bin/irpman || return 1
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chmod +x ../bin/irpf90 ../bin/irpman || return 1
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return 0
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}
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source scripts/build.sh
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@ -0,0 +1,15 @@
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#!/bin/bash -x
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TARGET=m4
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function _install()
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{
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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cd ${BUILD}
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./configure && make || exit 1
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ln -sf ${PWD}/src/m4 ${QPACKAGE_ROOT}/bin || exit 1
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}
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source scripts/build.sh
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@ -0,0 +1,14 @@
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#!/bin/bash -x
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TARGET=ninja
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function _install()
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{
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cd ${BUILD} || return 1
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./configure.py --bootstrap || return 1
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cd -
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mv ${BUILD}/ninja ../bin/ || return 1
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return 0
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}
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source scripts/build.sh
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@ -0,0 +1,41 @@
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#!/bin/bash -x
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PACKAGES="core cryptokit ocamlfind sexplib"
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declare -i i
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i=$(gcc -dumpversion | cut -d '.' -f 2)
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if [[ i -lt 6 ]]
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then
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echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required."
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exit 1
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fi
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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cd Downloads || exit 1
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chmod +x ocaml.sh || exit 1
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if [[ -d ${HOME}/.opam ]]
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then
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source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true
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fi
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echo N | ./ocaml.sh ${QPACKAGE_ROOT}/bin/ || exit 1
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if [[ ! -f ${QPACKAGE_ROOT}/bin/opam ]]
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then
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echo "Installation of OPAM failed"
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exit 2
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fi
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${QPACKAGE_ROOT}/bin/opam config setup -a --dot-profile ${QPACKAGE_ROOT}/qmcchemrc || exit 1
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touch ${QPACKAGE_ROOT}/bin/opam
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export LD_LIBRARY_PATH=${QPACKAGE_ROOT}/lib:${LD_LIBRARY_PATH}
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export LIBRARY_PATH=${QPACKAGE_ROOT}/lib:${LIBRARY_PATH}
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export C_INCLUDE_PATH=${QPACKAGE_ROOT}/lib:${C_INCLUDE_PATH}
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opam install ${PACKAGES} || exit 1
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rm -f ../_build/ocaml.log
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exit 0
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@ -0,0 +1,19 @@
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#!/bin/bash -x
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TARGET=patch
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function _install()
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{
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mkdir ${TARGET}
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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cd ${BUILD}
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./configure --prefix=${QPACKAGE_ROOT}/install/${TARGET} && make || exit 1
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make install || exit 1
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cd -
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cp ${TARGET}/bin/${TARGET} ${QPACKAGE_ROOT}/bin || exit 1
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rm -R -- ${TARGET} || exit 1
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}
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source scripts/build.sh
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@ -0,0 +1,11 @@
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#!/bin/bash -x
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TARGET=resultsFile
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function _install()
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{
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cp -R ${BUILD} . || exit 1
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}
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source scripts/build.sh
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@ -0,0 +1,16 @@
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#!/bin/bash -x
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TARGET=zlib
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function _install()
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{
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mkdir ${TARGET} || exit 1
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cd ..
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QPACKAGE_ROOT=$PWD
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cd -
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cd ${BUILD}
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./configure && make || exit 1
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make install prefix=$QPACKAGE_ROOT/install/${TARGET} || exit 1
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}
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source scripts/build.sh
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@ -1,62 +0,0 @@
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#!/usr/bin/env python
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import os
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import sys
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import shelve
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import hashlib
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import re
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r = re.compile(ur'-c\s+(\S+\.[fF]90)\s+-o\s+(\S+\.o)')
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p = re.compile(ur'-I IRPF90_temp/\S*\s+')
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mod = re.compile(ur'module\s+(?P<mod>\S+).+end\s?module\s+(?P=mod)?', re.MULTILINE | re.IGNORECASE)
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TMPDIR="/tmp/qp_compiler/"
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def main():
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# Create temp directory
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if "qp_compiler" not in os.listdir("/tmp"):
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os.mkdir("/tmp/qp_compiler/")
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line = sys.argv[1:]
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command = " ".join(line)
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command_clean = p.sub('',command)
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try:
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match = r.search(command_clean)
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input = match.group(1)
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output = match.group(2)
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except:
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os.system(command)
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return
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m = hashlib.md5()
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# Fread : read input
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with open(input,'r') as file:
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fread = file.read()
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m.update( " ".join( [ command, fread ] ))
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# Md5 Key containing command + content of Fread
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key = TMPDIR+m.hexdigest()
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try:
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# Try to return the content of the .o file
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with open(key,'r') as file:
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result = file.read()
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except IOError:
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# Compile the file -> .o
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os.system(command)
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# Read the .o
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with open(output,'r') as file:
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result = file.read()
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# Copy the .o in database
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if not mod.search(fread.replace('\n',' ')):
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with open(key,'w') as file:
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file.write(result)
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else:
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print input+' -> module'
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else:
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# Write the .o file
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with open(output,'w') as file:
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file.write(result)
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if __name__ == '__main__':
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main()
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@ -296,7 +296,7 @@ def ninja_symlink_build(path_module, l_symlink):
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# o ._ ._ _|_ (_| / \ ._ _ _. | _
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# | | |_) | | \_/ o | | | (_| |< (/_
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# |
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def get_l_file_for_module(path_module_abs):
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def get_l_file_for_module(path_module):
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'''
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return the list of irp.f in a module
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'''
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@ -306,17 +306,17 @@ def get_l_file_for_module(path_module_abs):
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l_template = []
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for f in os.listdir(path_module_abs):
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for f in os.listdir(path_module.abs):
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if f.lower().endswith(tuple([".template.f", ".include.f"])):
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l_template.append(join(path_module_abs, f))
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l_template.append(join(path_module.abs, f))
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elif f.endswith(".irp.f"):
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l_irp.append(join(path_module_abs, f))
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l_irp.append(join(path_module.abs, f))
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elif f.lower().endswith(tuple([".f", ".f90", ".c", ".cpp", ".cxx"])):
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l_src.append(join(path_module_abs, f))
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l_src.append(f)
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obj = '{0}.o'.format(os.path.splitext(f)[0])
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l_obj.append(join(path_module_abs, obj))
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l_obj.append(obj)
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elif f == "EZFIO.cfg":
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l_irp.append(join(path_module_abs, "ezfio_interface.irp.f"))
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l_irp.append(join(path_module.abs, "ezfio_interface.irp.f"))
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d = {"l_irp": l_irp,
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"l_src": l_src,
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@ -334,12 +334,20 @@ def get_file_dependency(d_info_module):
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for module, l_children in d_info_module.iteritems():
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for key, values in get_l_file_for_module(module.abs).iteritems():
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for key, values in get_l_file_for_module(module).iteritems():
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if key in ["l_src"]:
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values = [join(module.abs,o) for o in values]
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if key in ["l_obj"]:
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values = [join(module.abs,"IRPF90_temp",o) for o in values]
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d_irp[module][key] = values
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for children in l_children:
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for key, values in get_l_file_for_module(children.abs).iteritems():
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d_irp[module][key].extend(values)
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for key, values in get_l_file_for_module(children).iteritems():
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if key in ["l_src"]:
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values = [join(module.abs,children.rel,o) for o in values]
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if key in ["l_obj"]:
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values = [join(module.abs,"IRPF90_temp",children.rel,o) for o in values]
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d_irp[module][key].extend(values)
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return d_irp
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@ -1,31 +0,0 @@
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#!/bin/bash
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#
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# Installs curl for ocaml
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# Mon Jan 12 18:52:48 CET 2015
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CURL="curl-7.30.0.ermine"
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CURL_URL="http://qmcchem.ups-tlse.fr/files/scemama/${CURL}.tar.bz2"
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if [[ -z ${QPACKAGE_ROOT} ]]
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then
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echo "The QPACKAGE_ROOT environment variable is not set."
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echo "Please reload the quantum_package.rc file."
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exit -1
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fi
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cd ${QPACKAGE_ROOT}
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curl -kL "https://github.com/LCPQ/quantum_package" &> /dev/null
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if [[ $? -eq 0 ]]
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then
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exit 0
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fi
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rm -f -- ${QPACKAGE_ROOT}/bin/curl
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${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${CURL_URL} CURL.tar.bz2
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tar -jxf CURL.tar.bz2 && rm CURL.tar.bz2 ||exit 1
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cd ${CURL} || exit 1
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mv curl.ermine ${QPACKAGE_ROOT}/bin/curl
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cd ${QPACKAGE_ROOT}
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rm -rf -- ${CURL}
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@ -1,21 +0,0 @@
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#!/bin/bash
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#
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# Installs docopt
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# lundi 27 avril 2015, 16:51:34 (UTC+0200)
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DOCOPT="docopt.py"
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DOCOPT_URL="https://raw.githubusercontent.com/docopt/docopt/master/${DOCOPT}"
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if [[ -z ${QPACKAGE_ROOT} ]]
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then
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echo "The QPACKAGE_ROOT environment variable is not set."
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echo "Please reload the quantum_package.rc file."
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exit -1
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fi
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cd ${QPACKAGE_ROOT}
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rm -f -- scripts/${DOCOPT}{,c}
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${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${DOCOPT_URL} ${DOCOPT}
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mv ${DOCOPT} scripts/utility/${DOCOPT}
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@ -1,23 +0,0 @@
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#!/bin/bash
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#
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# Installs EMSL_Basis_Set_Exchange_Local
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# Mon Jan 12 12:57:19 CET 2015
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BASE="EMSL_Basis_Set_Exchange_Local"
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URL="https://github.com/LCPQ/${BASE}/archive/master.tar.gz"
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if [[ -z ${QPACKAGE_ROOT} ]]
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then
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echo "The QPACKAGE_ROOT environment variable is not set."
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echo "Please reload the quantum_package.rc file."
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exit -1
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fi
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cd ${QPACKAGE_ROOT}
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${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
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tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
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rm -rf EMSL_Basis
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mv ${BASE}-master EMSL_Basis
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@ -1,24 +0,0 @@
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#!/bin/bash
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#
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# Installs EZFIO
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# Mon Jan 12 16:06:44 CET 2015
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BASE="ezfio"
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URL="https://github.com/LCPQ/${BASE}/archive/master.tar.gz"
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if [[ -z ${QPACKAGE_ROOT} ]]
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then
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echo "The QPACKAGE_ROOT environment variable is not set."
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echo "Please reload the quantum_package.rc file."
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exit -1
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fi
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cd ${QPACKAGE_ROOT}
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rm -rf -- EZFIO
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${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
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tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
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mv EZFIO-master EZFIO
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@ -1,29 +0,0 @@
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#!/bin/bash
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#
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# Installs irpf90
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# Mon Jan 12 16:00:20 CET 2015
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BASE="irpf90"
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URL="https://github.com/LCPQ/${BASE}/archive/master.tar.gz"
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# Check the QPACKAGE_ROOT directory
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if [[ -z ${QPACKAGE_ROOT} ]]
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then
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echo "The QPACKAGE_ROOT environment variable is not set."
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echo "Please reload the quantum_package.rc file."
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exit 1
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fi
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cd ${QPACKAGE_ROOT}
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${QPACKAGE_ROOT}/scripts/install/fetch_from_web.py ${URL} ${QPACKAGE_ROOT}/${BASE}.tar.gz
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tar -zxf ${BASE}.tar.gz && rm ${BASE}.tar.gz ||exit 1
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mv ${BASE}-master irpf90
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make -C irpf90
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rm -rf -- bin/irpf90 bin/irpman
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echo '${QPACKAGE_ROOT}/irpf90/bin/irpf90 $@' > bin/irpf90
|
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echo '${QPACKAGE_ROOT}/irpf90/bin/irpman $@' > bin/irpman
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chmod +x bin/irpf90 bin/irpman
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|
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@ -1,31 +0,0 @@
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#!/bin/bash
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#
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# Installs m4 for ocaml
|
||||
# Thu Oct 23 22:02:08 CEST 2014
|
||||
|
||||
M4_URL="http://ftp.gnu.org/gnu/m4/m4-latest.tar.gz"
|
||||
M4=$(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
|
||||
|
||||
|
|
@ -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 ${BASE}
|
||||
./configure.py --bootstrap
|
||||
|
|
@ -1,67 +0,0 @@
|
|||
#!/bin/bash
|
||||
#
|
||||
# Downloads and installs ocaml, opam and core library
|
||||
# Thu Oct 23 21:58:40 CEST 2014
|
||||
|
||||
PACKAGES="core cryptokit"
|
||||
OPAM_BASE=$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
|
||||
|
||||
|
|
@ -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} ${QPACKAGE_ROOT}/resultsFile.tar.gz
|
||||
tar -zxf resultsFile.tar.gz && rm resultsFile.tar.gz ||exit 1
|
||||
mv resultsFile-master resultsFile
|
||||
|
||||
|
||||
|
|
@ -1,38 +0,0 @@
|
|||
#!/bin/bash
|
||||
#
|
||||
# Installs zlib for ocaml cryptokit
|
||||
# Mon Jan 12 18:52:48 CET 2015
|
||||
|
||||
ZLIB="zlib-1.2.8"
|
||||
ZLIB_URL="http://zlib.net/${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 -- ${ZLIB}
|
||||
|
||||
|
|
@ -1,116 +0,0 @@
|
|||
#!/bin/bash
|
||||
#
|
||||
# Setup script. Downloads dependencies if they are not already present
|
||||
# in the current installation.
|
||||
# Thu Oct 23 22:02:08 CEST 2014
|
||||
|
||||
BLUE="[34m"
|
||||
RED="[31m"
|
||||
BLACK="(B[m"
|
||||
|
||||
QPACKAGE_ROOT="$( 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
|
||||
|
||||
Loading…
Reference in New Issue