fixed a bug in cleanup_moltemplate.sh. Credit to github user PhnRvTjN…

… for the solution!

moltemplate/scripts/cleanup_moltemplate.sh

@@ -54,7 +54,8 @@ fi
 # Determine the directory in which the python scripts are located.
 # (such as ltemplify.py).  It could either be the directory where the script
 # file is located, OR it could be the parent of this directory.
-PY_SCR_DIR=`dirname "$0"`
+SH_SCR_DIR=`dirname "$0"`
+PY_SCR_DIR=$SH_SCR_DIR
 if [ ! -s "${PY_SCR_DIR}/ltemplify.py" ]; then
     PY_SCR_DIR="$PY_SCR_DIR/.."
 fi
@@ -223,7 +224,7 @@ cd new_lt_file_TMP
 
   # Now, run moltemplate on this new .LT file.
   # Interpret the "${BASE_NAME}.lt literally. Don't check for duplicates("-overlay...")
-  if ! "${PY_SCR_DIR}/scripts/moltemplate.sh" "${BASE_NAME}.lt" \
+  if ! "${SH_SCR_DIR}/moltemplate.sh" "${BASE_NAME}.lt" \
                       -overlay-bonds -overlay-angles \
                       -overlay-dihedrals -overlay-impropers; then
       echo "ERROR: cleanup_moltemplate.sh: unable to convert the simplified LT file to LAMMPS files" >&2

moltemplate/scripts/moltemplate.sh

@@ -6,8 +6,8 @@
 # Copyright (c) 2013
 
 G_PROGRAM_NAME="moltemplate.sh"
-G_VERSION="2.20.18"
-G_DATE="2022-12-24"
+G_VERSION="2.20.19"
+G_DATE="2022-2-06"
 
 echo "${G_PROGRAM_NAME} v${G_VERSION} ${G_DATE}" >&2
 echo "" >&2

setup.py

@@ -45,9 +45,9 @@
 
   url='https://github.com/jewettaij/moltemplate',
 
-  download_url='https://github.com/jewettaij/moltemplate/archive/v2.20.18.zip',
+  download_url='https://github.com/jewettaij/moltemplate/archive/v2.20.19.zip',
 
-  version='2.20.18',
+  version='2.20.19',
 
   keywords=['simulation', 'LAMMPS', 'molecule editor', 'molecule builder',
             'ESPResSo'],