remove .sh from launcher_finder (looks cleaner)

emmet-cli/emmet/cli/bash_scripts/launcher_finder

@@ -0,0 +1,101 @@
+#!/bin/bash
+
+UTC() { date -u "+%Y%m%d-%H%M%S"; }
+
+block_search () {
+  find "$1" -type f -name "vasprun.xml*" > "$2"
+
+  awk -F/ '{
+    for (i = 1; i < NF; i++) {
+      printf "%s", $i
+      if ($i ~ /block/) {
+        break
+      }
+      printf FS
+    }
+    print ""
+    }' "$2" | sort | uniq -c > "$3"
+}
+
+generate_report() {
+  backup=$(mktemp)
+  re_org=$(mktemp)
+  quar=$(mktemp)
+
+  exec 3>"${backup}" 5>"${re_org}" 7>"${quar}"
+
+  sep="===================================================================="
+
+  printf "%s\nBLOCKS THAT CAN BE BACKED UP:\n" "${sep}" >&3
+  printf "%s\nLAUNCHERS TO RE-ORG:\n" "${sep}" >&5
+  printf "%s\nQUARANTINED LAUNCHERS FOUND, CHECK VALIDATION:\n" "${sep}" >&7
+
+  local report="$1"
+  shift
+  local counts=("${@}")
+
+  for file in "${counts[@]}"; do
+    awk '/block/ { print $0 }' "${file}" >&3
+    awk '!/block/ { print $0 }' "${file}" >&5
+    awk '/quarantine/ { print $0 }' "${file}" >&7
+  done
+
+  if [[ -n "${report}" ]]; then
+    cat "${backup}" "${re_org}" "${quar}" >> "${report}"
+  else
+    cat "${backup}" "${re_org}" "${quar}"
+  fi
+
+  rm "${backup}" "${re_org}" "${quar}"
+  exec 3>&- 5>&- 7>&-
+}
+
+dir=$(pwd)
+file_name=''
+
+usage="Invocation: $(basename "$0") [-h] [-d root-directory] [-f output-file-name] -- searches for directories containing VASP files
+
+where:
+    -h  show this help text
+    -d  set root directory to search for VASP files (default: PWD)
+    -f  set output file name to store search results (default: reports directly to stdout)
+        If a file name is set, the file weill be stored at: root-directory/.emmet/output-file-name"
+
+while getopts ':hd:f:v' flag; do
+  case "${flag}" in
+    h) echo "${usage}"
+       exit
+       ;;
+    d) dir="${OPTARG}" ;;
+    f) file_name="${OPTARG}" ;;
+    *) echo "Unexpected option ${flag}"
+       echo "${usage}"
+       exit
+       ;;
+  esac
+done
+
+IFS=$'\n'
+dirs=($(find "${dir}" -maxdepth 1 -mindepth 1 -type d -not -path "${dir}/.emmet"))
+unset IFS
+
+search_logs=()
+counts=()
+
+for i in "${dirs[@]}"; do
+  mkdir -p "${i}/.emmet"
+  emmet="${i}/.emmet"
+  search_logs+=("${emmet}/emmet-launcher-search-$(UTC).txt")
+  counts+=("${emmet}/emmet-launcher-counts-$(UTC).txt")
+done
+
+export -f block_search
+
+parallel --link block_search ::: "${dirs[@]}" ::: "${search_logs[@]}" ::: "${counts[@]}"
+
+if [[ -n "${file_name}" ]]; then
+  mkdir -p "${dir}/.emmet"
+  report_file="${dir}/.emmet/${file_name}"
+fi
+
+generate_report "${report_file}" "${counts[@]}"

emmet-cli/emmet/cli/tasks.py

@@ -755,18 +755,27 @@ def survey(ctx):
     run = ctx.parent.parent.params["run"]
     root_dir = ctx.parent.params['directory']
 
+    ts = datetime.utcnow().strftime("%y%m%d-%h%m%s")
+    args = shlex.split(
+        f"launcher_finder -d {root_dir} -f emmet-launcher-report-{ts}.txt"
+    )
+    for line in run_command(args, []):
+        logger.info(line.strip())
+
+    logger.info(f"launcher search results stored in {root_dir}/.emmet/")
+
     if run:
-        ts = datetime.utcnow().strftime("%Y%m%d-%H%M%S")
+        ts = datetime.utcnow().strftime("%y%m%d-%h%m%s")
         args = shlex.split(
-            f"launcher_finder.sh -d {root_dir} -f emmet-launcher-report-{ts}.txt"
+            f"launcher_finder -d {root_dir} -f emmet-launcher-report-{ts}.txt"
         )
         for line in run_command(args, []):
             logger.info(line.strip())
 
-        logger.info(f"Launcher search results stored in {root_dir}/.emmet/")
+        logger.info(f"launcher search results stored in {root_dir}/.emmet/")
     else:
         logger.info(f"Would recursively search for directories containing VASP files in {root_dir}")
-        logger.info(f"Run 'launcher_finder.sh {root_dir}' if you want to search without GH issue tracking")
+        logger.info(f"Run 'launcher_finder {root_dir}' if you want to search without GH issue tracking")
 
     return ReturnCodes.SUCCESS
 

emmet-cli/setup.py

@@ -12,7 +12,7 @@
     long_description_content_type="text/markdown",
     url="https://github.com/materialsproject/emmet",
     packages=["emmet.cli"],
-    scripts=["emmet/cli/bash_scripts/launcher_finder.sh"],
+    scripts=["emmet/cli/bash_scripts/launcher_finder"],
     install_requires=[
         "log4mongo",
         "click",