Archive and unarchive EZFIO input files works

data/inputs/Makefile

@@ -2,5 +2,8 @@ all: $(wildcard *.ezfio)
 
 FORCE:
 
+%.ezfio.md5: FORCE
+	archive_ezfio.sh $*.ezfio
+
 %.ezfio: FORCE
-	archive_ezfio.sh $*
+	unarchive_ezfio.sh $@.md5

data/inputs/Ne_dz.ezfio.md5

@@ -1,4 +1,3 @@
-765e1f05dd3fbab8c7ebefaf2f1813e4 Ne_dz.ezfio/nuclei/nucl_num
 3a99bcfcbfc32219791e6980c927b900 Ne_dz.ezfio/ao_basis/ao_coef.gz
 54485b685f849c6f24a9c08a926daaf9 Ne_dz.ezfio/ao_basis/ao_expo.gz
 2cf8c46d0cf91710e14856c92bcd0aae Ne_dz.ezfio/ao_basis/ao_nucl.gz

scripts/archive_ezfio.sh

@@ -59,6 +59,7 @@ EOF
 ))
 cd $OLDPWD
 
+rm -f ${EZFIO_FILE}.md5
 for FILE in ${FILES[@]}
 do
   FILE=${EZFIO_FILE}/${FILE}

scripts/unarchive_ezfio.sh

@@ -0,0 +1,36 @@
+#!/bin/bash
+#
+# Reads a *.ezfio.md5 file, then fetches the proper data in the
+# cache and re-creates the EZFIO database.
+# Fri Apr  4 01:02:53 CEST 2014
+
+if [[ -z ${QPACKAGE_ROOT} ]]
+then
+  print "The QPACKAGE_ROOT environment variable is not set."
+  print "Please reload the quantum_package.rc file."
+fi
+
+EZFIO_FILE=$(basename $(basename ${1} .md5))
+
+if [[ -z $1 ]]
+then
+  echo "Usage: $(basename $0) <EZFIO_FILE.md5>"
+  exit 1
+fi
+
+if [[ ! -f ${EZFIO_FILE}.md5 ]]
+then
+  echo "Error: ${EZFIO_FILE}.md5 does not exist."
+  exit 1
+fi
+
+key=($(cut -d ' ' -f 1 Ne_dz.ezfio.md5 ))
+filename=($(cut -d ' ' -f 2 Ne_dz.ezfio.md5 ))
+
+for i in ${!key[@]}
+do
+  MD5=${key[$i]}
+  file=${filename[$i]}
+  mkdir -p $(dirname $file)
+  cp ${QPACKAGE_ROOT}/data/cache/${MD5} ${file}
+done