add additional xsdata scripts; update xsdata readme

scripts/README.md

@@ -3,8 +3,12 @@ This directory contains various scripts to help you set-up and analyze results
 of your SaltProc simulations.
 
 ### `xsdata`
-The script in this directory downloads and processes the JEFF 
-3.1.2 cross section library -- as well as spontaneous and delayed fission neutron and
+The scripts in this directory downloads and processes cross sections data for
+use in Serpent and OpenMC
+
+#### `process_jeff312.bash`
+Downloads and processes the JEFF 3.1.2 cross section library -- as well as
+spontaneous and delayed fission neutron and
 decay data -- for running the integration tests 
 on a UNIX-like machine.
 
@@ -23,3 +27,34 @@ XSDIR=[PATH TO XSDIR] bash process_j312.bash
 Where `XSDIR` is a path to the directory where you want to store the cross 
 section libraries. Running the script without setting `XSDIR` will install the cross section library in the current working directory.
 
+
+#### `download_endfb71.bash`
+Downloads and processes the endfb7x incident neutron data, and 
+ENDFB71 thermal scattering data in ACE format-- as well as
+spontaneous and delayed fission neutron and
+decay data -- for running Serpent models
+on a UNIX-like machine.
+
+To run the script, execute
+```
+XSDIR=[PATH TO XSDIR] bash download_endfb71.bash
+```
+
+Where `XSDIR` is a path to the directory where you want to store the cross 
+section libraries. Running the script without setting `XSDIR` will install the cross section library in the current working directory.
+
+#### `process_endfb71_to_openmc.bash`
+Processes the endfb71 library created by the previous script into
+OpenMC's HDF5 format for cross section data on a UNIX-like machine.
+
+*You must have installed OpenMC on your machine and have openmc repo on your
+machine in order for this script to work*
+Information about how to do this can be found [here](https://docs.openmc.org/en/latest/usersguide/install.html).
+
+To run the script, execute
+```
+XSDIR=[PATH TO XSDIR] $OPENMC_ENV=[NAME OF OPENMC CONDA ENVIRONMENT] $OPENMC_DIR=[PATH TO OPENMC REPO] bash download_endfb71.bash
+```
+
+Where `XSDIR` is a path to the directory where you want to store the cross 
+section libraries. Running the script without setting `XSDIR` will install the cross section library in the current working directory.

scripts/xsdata/download_endfb71.bash

@@ -0,0 +1,101 @@
+#! ~/bin/bash
+
+# Get conda working in non interactive shell
+CONDA_PATH=$(conda info | grep -i 'base environment' | awk '{print $4}')
+source $CONDA_PATH/etc/profile.d/conda.sh
+
+################
+### DOWNLOAD ###
+################
+# DATADIR is the directory where the xs library is extracted to
+# @yardasol reccomends naming the parent directory where the files
+# will be extractd to as "jeff312"
+if [[ -d "$XSDIR" ]]
+then
+    DATADIR=$XSDIR/endfb71_ace
+else
+    DATADIR=$PWD/endfb71_ace
+fi
+mkdir -p $DATADIR/acedata
+
+# ndy, decay, sfy data
+LN="https://www.nndc.bnl.gov/endf-b7.1/zips/"
+SLUG="ENDF-B-VII.1-"
+DATA=("nfy" "decay" "sfy")
+EXT=".zip"
+for D in ${DATA[@]}
+do
+    if [[ ! -f $DATADIR/$SLUG$D$EXT ]]
+    then
+        wget -P $DATADIR $LN$SLUG$D$EXT
+    fi
+    mkdir -p $DATADIR/$D
+    unzip -j $DATADIR/$SLUG$D$EXT -d $DATADIR/$D
+    touch $DATADIR/endfb71.$D
+    files=$(ls $DATADIR/$D/*.[Ee][Nn][Dd][Ff])
+    for file in $files
+    do
+        cat $file >> $DATADIR/endfb71.$D
+    done
+done
+
+# OpenMC depletion chain
+#conda activate openmc-env
+#python openmc_make_chain.py -D $DATADIR
+
+#########################
+### SETUP .xsdir FILE ###
+#########################
+XSDIR_FILE=endfb71.xsdir
+ACESLUG=https://www.nndc.bnl.gov/endf-b7.1/aceFiles/
+ACEGZ=ENDF-B-VII.1-tsl.tar.gz
+if [[ ! -f $DATADIR/$ACEGZ ]]
+then
+    wget -P $DATADIR $ACESLUG$ACEGZ
+fi
+tar -xOzf $DATADIR/$ACEGZ xsdir | cat > $DATADIR/$XSDIR_FILE
+
+# Make regex for DATADIR
+DATADIR_REGEX=${DATADIR//\//\\\/}
+
+# Fix datapath
+sed -i "s/datapath/datapath=$DATADIR_REGEX\/acedata/" $DATADIR/$XSDIR_FILE
+#echo "datapath=$DATADIR/acedata" > $DATADIR/$XSDIR_FILE
+
+# Get cutoff line number
+echo "Get cutoff"
+LN="$(grep -n "directory" $DATADIR/$XSDIR_FILE)"
+IFS=':' read -ra arr <<< "$LN"
+LN=${arr[0]}
+
+# Remove unused directory paths
+head -n$LN $DATADIR/$XSDIR_FILE | cat > $DATADIR/temp
+cat $DATADIR/temp > $DATADIR/$XSDIR_FILE
+rm $DATADIR/temp
+#echo "directory" >> $DATADIR/$XSDIR_FILE
+
+# Neutron and thermal scattering data
+LN="https://nucleardata.lanl.gov/lib/"
+DATA=("endf71x" "ENDF71SaB")
+EXT=".tgz"
+for D in ${DATA[@]}
+do
+    if [[ ! -f $DATADIR/$D$EXT ]]
+    then
+        wget -P $DATADIR $LN$D$EXT
+    fi
+    tar -xzf $DATADIR/"$D$EXT" -C $DATADIR --verbose
+    mv $DATADIR/$D/$D $DATADIR/acedata/.
+
+    cat $DATADIR/$D/xsdir >> $DATADIR/$XSDIR_FILE
+done
+
+
+# download cross section dir convert script
+if [[ ! -f $XSDIR/xsdirconvert.pl ]]
+then
+    wget -O $XSDIR/xsdirconvert.pl http://montecarlo.vtt.fi/download/xsdirconvert.pl
+fi
+
+# Run the xsdirconvert script
+perl $XSDIR/xsdirconvert.pl $DATADIR/$XSDIR_FILE > $DATADIR/endfb71.xsdata

scripts/xsdata/process_endfb71_to_openmc.bash

@@ -0,0 +1,14 @@
+# Get conda working in non interactive shell
+CONDA_PATH=$(conda info | grep -i 'base environment' | awk '{print $4}')
+source $CONDA_PATH/etc/profile.d/conda.sh
+
+if [[ -d "$XSDIR" ]]
+then
+    DATADIR=$XSDIR/endfb71_h5
+else
+    DATADIR=$PWD/endfb71_h5
+fi
+mkdir -p $DATADIR
+
+conda activate $OPENMC_ENV
+python $OPENMCDIR/scripts/openmc-ace-to-hdf5 --xsdir $XSDIR/endfb71_ace/endfb71.xsdir -d $DATADIR