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https://github.com/LCPQ/quantum_package
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Removed wget requirement
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346731bddc
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8
Makefile
8
Makefile
@ -1,20 +1,22 @@
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WWW_SERVER = http://qmcchem.ups-tlse.fr/files/scemama
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WWW_SERVER = http://qmcchem.ups-tlse.fr/files/scemama
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IRPF90_TGZ = irpf90-latest-noarch-src.tar.gz
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IRPF90_TGZ = irpf90-latest-noarch-src.tar.gz
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EZFIO_TGZ = EZFIO.latest.tar.gz
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EZFIO_TGZ = EZFIO.latest.tar.gz
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FETCH_FROM_WEB=./scripts/fetch_from_web.py
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.PHONY: doc src
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.PHONY: doc src
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default: src
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default:
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./setup_environment.sh
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EZFIO:
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EZFIO:
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$(info ===== Fetching EZFIO from the web =====)
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$(info ===== Fetching EZFIO from the web =====)
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@wget "$(WWW_SERVER)/$(EZFIO_TGZ)" || \
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@$(FETCH_FROM_WEB) "$(WWW_SERVER)/$(EZFIO_TGZ)" $(EZFIO_TGZ) || \
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(echo Unable to download EZFIO : $(WWW_SERVER)/$(EZFIO_TGZ) ; exit 1)
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(echo Unable to download EZFIO : $(WWW_SERVER)/$(EZFIO_TGZ) ; exit 1)
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@tar -zxf $(EZFIO_TGZ) && rm $(EZFIO_TGZ)
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@tar -zxf $(EZFIO_TGZ) && rm $(EZFIO_TGZ)
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irpf90:
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irpf90:
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$(info ===== Fetching IRPF90 from the web =====)
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$(info ===== Fetching IRPF90 from the web =====)
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@wget "$(WWW_SERVER)/$(IRPF90_TGZ)" || \
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@$(FETCH_FROM_WEB) "$(WWW_SERVER)/$(IRPF90_TGZ)" $(IRPF90_TGZ) || \
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(echo Unable to download IRPF90 : $(WWW_SERVER)/$(IRPF90_TGZ) ; exit 1)
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(echo Unable to download IRPF90 : $(WWW_SERVER)/$(IRPF90_TGZ) ; exit 1)
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@tar -zxf $(IRPF90_TGZ) && rm $(IRPF90_TGZ)
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@tar -zxf $(IRPF90_TGZ) && rm $(IRPF90_TGZ)
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$(MAKE) -C irpf90
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$(MAKE) -C irpf90
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33
scripts/fetch_from_web.py
Executable file
33
scripts/fetch_from_web.py
Executable file
@ -0,0 +1,33 @@
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#!/usr/bin/env python
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import urllib
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import sys
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__author__ = "Anthony Scemama"
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__date__ = "Mon Apr 7 15:30:29 CEST 2014"
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"""Fetches a file from a given URL.
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syntax : %s <URL> <local_filename>"""%(sys.argv[0])
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# Check command line
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if len(sys.argv) < 3:
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print """
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usage:
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%s <URL> <local_filename>"""%(sys.argv[0])
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URL = sys.argv[1]
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filename = sys.argv[2]
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webpage = urllib.urlopen(URL)
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data = webpage.read()
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if "404 - Not Found" in data:
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print "Error in URL"
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sys.exit(1)
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file = open(filename,'w')
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file.write(data)
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file.close()
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@ -1,4 +1,8 @@
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#!/bin/bash
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#!/bin/bash
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#
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# Setup script. Downloads IRPF90 and EZFIO if they are not already present in the current
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# installation.
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# Mon Apr 7 15:41:19 CEST 2014
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QPACKAGE_ROOT=${PWD}
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QPACKAGE_ROOT=${PWD}
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@ -8,6 +12,11 @@ if [[ -z ${IRPF90} ]] ;
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then
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then
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make irpf90
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make irpf90
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IRPF90=${QPACKAGE_ROOT}/irpf90/bin/irpf90
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IRPF90=${QPACKAGE_ROOT}/irpf90/bin/irpf90
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if [[ ! -x ${QPACKAGE_ROOT}/irpf90/bin/irpf90 ]]
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then
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echo "Error in IRPF90 installation"
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exit 1
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fi
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fi
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fi
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cat << EOF > quantum_package.rc
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cat << EOF > quantum_package.rc
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@ -15,7 +24,17 @@ export IRPF90=${IRPF90}
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export QPACKAGE_ROOT=${QPACKAGE_ROOT}
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export QPACKAGE_ROOT=${QPACKAGE_ROOT}
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export PATH+=:\${QPACKAGE_ROOT}/scripts
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export PATH+=:\${QPACKAGE_ROOT}/scripts
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export PATH+=:\${QPACKAGE_ROOT}/bin
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export PATH+=:\${QPACKAGE_ROOT}/bin
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export QPACKAGE_CACHE_URL="http://qmcchem.ups-tlse.fr/files/scemama/quantum_package/cache/"
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EOF
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EOF
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source quantum_package.rc
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source quantum_package.rc
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if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
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then
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make EZFIO
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make EZFIO
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fi
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if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
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then
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echo "Error in IRPF90 installation"
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exit 1
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fi
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