Xfel gui project management

xfel/command_line/upload_mtz.py

@@ -27,6 +27,11 @@
     .help = Id string of the destination folder. If the folder url is \
 https://drive.google.com/drive/u/0/folders/1NlJkfL6CMd1NZIl6Duy23i4G1RM9cNH- , \
 then the id is 1NlJkfL6CMd1NZIl6Duy23i4G1RM9cNH- .
+  lock_file = None
+    .type = path
+    .help = Path to lock file for coordinating concurrent uploads. \
+If None, defaults to ~/.upload_mtz.lock. Set this to a writable location \
+if the home directory is not accessible (e.g., on compute nodes).
 }
 input {
   mtz_file = None
@@ -78,9 +83,14 @@ def _get_log_fname(mtz_fname):
 class Locker:
   """ See https://stackoverflow.com/a/60214222
   """
+  def __init__(self, lock_file_path=None):
+    if lock_file_path is None:
+      lock_file_path = os.path.expanduser('~/.upload_mtz.lock')
+    self.lock_file_path = lock_file_path
+
   def __enter__(self):
     try:
-      self.fp = open(os.path.expanduser('~/.upload_mtz.lock'), 'wb')
+      self.fp = open(self.lock_file_path, 'wb')
     except FileNotFoundError:
       self.fp = None
     if fcntl and self.fp is not None:
@@ -98,7 +108,7 @@ class pydrive2_interface:
   destination folder.
   """
 
-  def __init__(self, cred_file, folder_id):
+  def __init__(self, cred_file, folder_id, lock_file=None):
     try:
       from pydrive2.auth import ServiceAccountCredentials, GoogleAuth
       from pydrive2.drive import GoogleDrive
@@ -111,11 +121,12 @@ def __init__(self, cred_file, folder_id):
     )
     self.drive = GoogleDrive(gauth)
     self.top_folder_id = folder_id
+    self.lock_file = lock_file
 
 
 
   def _fetch_or_create_folder(self, fname, parent_id):
-    with Locker():
+    with Locker(self.lock_file):
       query = {
           "q": "'{}' in parents and title='{}'".format(parent_id, fname),
           "supportsTeamDrives": "true",
@@ -209,7 +220,8 @@ def run_with_preparsed(params):
 
   drive = pydrive2_interface(
       params.drive.credential_file,
-      params.drive.shared_folder_id
+      params.drive.shared_folder_id,
+      lock_file=params.drive.lock_file
   )
   folders = [dataset_root, version_str]
   files = [log_path]

xfel/ui/__init__.py

@@ -1,5 +1,5 @@
 from __future__ import absolute_import, division, print_function
-import os
+import os, sys
 from iotbx.phil import parse
 from libtbx.utils import Sorry
 
@@ -148,7 +148,6 @@
 master_phil_scope = parse(master_phil_str + db_phil_str, process_includes=True)
 
 settings_dir = os.path.join(os.path.expanduser('~'), '.cctbx.xfel')
-settings_file = os.path.join(settings_dir, 'settings.phil')
 
 known_dials_dispatchers = {
   'cctbx.xfel.xtc_process': 'xfel.command_line.xtc_process',
@@ -167,6 +166,13 @@ def load_phil_scope_from_dispatcher(dispatcher):
   return phil_scope
 
 def load_cached_settings(scope=None, extract=True):
+  # Determine which settings file to use
+  settings_file = os.environ.get('CCTBX_XFEL_SETTINGS')
+  if settings_file is None:
+    settings_file = os.path.join(settings_dir, 'settings.phil')
+
+  print('Load settings from', settings_file)
+
   if scope is None:
     scope = master_phil_scope
   if os.path.exists(settings_file):
@@ -186,6 +192,11 @@ def load_cached_settings(scope=None, extract=True):
       return scope
 
 def save_cached_settings(params):
+  # Save to the file specified by environment or default
+  settings_file = os.environ.get('CCTBX_XFEL_SETTINGS')
+  if settings_file is None:
+    settings_file = os.path.join(settings_dir, 'settings.phil')
+
   if not os.path.exists(settings_dir):
     os.makedirs(settings_dir)
 

xfel/ui/components/submission_tracker.py

@@ -170,6 +170,8 @@ def __init__(self, queueing_system):
       "queue interrogator not implemented for %s queueing system"%self.queueing_system)
 
   def read_result(self, log_path):
+    if not log_path:
+      return "Error reading log file, no path to log"
     result = easy_run.fully_buffered(command=self.command % log_path)
     status = "\n".join(result.stdout_lines)
     error = "\n".join(result.stderr_lines)

xfel/ui/components/xfel_gui_controls.py

@@ -326,6 +326,44 @@ def __init__(self, parent,
     output_box.AddGrowableCol(1, 1)
     self.SetSizer(output_box)
 
+class ComboButtonCtrl(CtrlBase):
+  ''' Generic panel that will place a combo control, with a label and an
+      optional large button, and an optional bitmap button'''
+
+  def __init__(self, parent,
+               label='', label_size=(100, -1),
+               label_style='normal',
+               text_style=wx.TE_LEFT,
+               ctrl_size=(200, -1),
+               big_button=False,
+               big_button_label='Browse...',
+               big_button_size=wx.DefaultSize,
+               ghost_button=True,
+               value='', **kwargs):
+
+    CtrlBase.__init__(self, parent=parent, label_style=label_style, **kwargs)
+
+    output_box = wx.FlexGridSizer(1, 4, 0, 10)
+    self.txt = wx.StaticText(self, label=label, size=label_size)
+    self.txt.SetFont(self.font)
+    output_box.Add(self.txt)
+
+    self.ctr = wx.ComboBox(self, name=self.Name + "_ctr", style=text_style, size=ctrl_size)
+    self.ctr.SetValue(value)
+    output_box.Add(self.ctr, flag=wx.EXPAND)
+
+    self.btn_big = Button(self, name=self.Name + "_btn_big", label=big_button_label, size=big_button_size)
+    if ghost_button:
+      output_box.Add(self.btn_big, flag=wx.RESERVE_SPACE_EVEN_IF_HIDDEN)
+    else:
+      output_box.Add(self.btn_big)
+
+    if not big_button:
+      self.btn_big.Hide()
+
+    output_box.AddGrowableCol(1, 1)
+    self.SetSizer(output_box)
+
 class TwoButtonCtrl(CtrlBase):
   ''' Generic panel that will place a text control, with a label and an
       optional large button, and an optional bitmap button'''