restore testing of generation of failed packing files

testing/test.sh

@@ -4,4 +4,7 @@
 curl -fsSL https://install.julialang.org | sh
 # Run the tests
 julia runtests.jl water_box.inp \
-                  ieee_signaling.inp
+                  ieee_signaling.inp 
+
+# check if output files are properly generated in a failed run
+./test_failed.sh water_box_failed.inp packmol.log "FORCED" 

testing/test_failed.sh

@@ -0,0 +1,24 @@
+#!/bin/bash
+#
+# First argument: input file name
+# Second argument: log file name
+#
+# Third argument: string to be searched in the log file, to declare that
+# the test passed
+#
+# Example: ./test.sh "water_box.inp" "packmol.log" "FORCED"
+#
+if ! [ -f $1 ]; then
+    echo "Error: input file not found: $1"
+    exit 1
+fi
+../packmol < $1 > $2
+if ! [ -f $2 ]; then
+    echo "Error: Log file not generated: $2"
+    exit 1
+fi
+if ! grep -q $3 $2; then
+    echo "Error: could not find $3 in $2"
+    exit 1
+fi
+exit 0