restored Solver module functionality

python/damask/__init__.py

@@ -16,6 +16,7 @@ from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
 from .dadf5       import DADF5 # noqa
 
 from .geom        import Geom             # noqa
+from .solver      import Solver           # noqa
 from .test        import Test             # noqa
 from .util        import extendableOption # noqa
 

python/damask/environment.py

@@ -26,4 +26,4 @@ class Environment():
                     items = re.split(r'\s*=\s*',line)
                     if len(items) == 2: 
                         self.options[items[0].upper()] = \
-                          re.sub(r'${*DAMASK_ROOT}*',self.rootDir(),os.path.expandvars(items[1]))      # expand all shell variables and DAMASK_ROOT
+                          re.sub(r'\${?DAMASK_ROOT}?',self.rootDir(),os.path.expandvars(items[1]))     # expand all shell variables and DAMASK_ROOT

python/damask/solver/__init__.py

@@ -0,0 +1,5 @@
+"""Tools to control the various solvers."""
+
+from .solver   import Solver     # noqa
+from .marc     import Marc       # noqa
+from .abaqus   import Abaqus     # noqa

python/damask/solver/abaqus.py

@@ -0,0 +1,33 @@
+import subprocess
+
+from .solver import Solver
+import damask
+
+
+class Abaqus(Solver):
+  """Wrapper to run DAMASK with Abaqus."""
+
+  def __init__(self,version=int(damask.Environment().options['ABAQUS_VERSION'])):
+    """
+    Create a Abaqus solver object.
+    
+    Parameters
+    ----------
+    version : integer
+        Abaqus version
+
+    """
+    self.solver  = 'Abaqus'
+    self.version = int(version)
+
+  def return_run_command(self,model):
+    try:
+      cmd = 'abq'+self.version
+      subprocess.check_output([cmd,'information=release'])
+    except OSError:                                                                                 # link to abqXXX not existing
+      cmd = 'abaqus'
+      process = subprocess.Popen([cmd,'information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
+      detectedVersion = int(process.stdout.readlines()[1].split()[1].decode('utf-8'))
+      if self.version != detectedVersion:
+        raise Exception('found Abaqus version {}, but requested {}'.format(detectedVersion,self.version))
+    return '{} -job {} -user {}/src/DAMASK_abaqus interactive'.format(cmd,model,damask.Environment().rootDir())

python/damask/solver/marc.py

@@ -0,0 +1,88 @@
+import os
+import subprocess
+import shlex
+
+from .solver import Solver
+import damask
+
+class Marc(Solver):
+  """Wrapper to run DAMASK with MSCMarc."""
+
+  def __init__(self,version=damask.Environment().options['MARC_VERSION']):
+    """
+    Create a Marc solver object.
+    
+    Parameters
+    ----------
+    version : float
+        Marc version
+
+    """
+    self.solver  = 'Marc'
+    self.version = damask.Environment().options['MARC_VERSION']
+
+
+#--------------------------
+  def libraryPath(self):
+
+    path_MSC = damask.Environment().options['MSC_ROOT']   
+    path_lib = '{}/mentat{}/shlib/linux64'.format(path_MSC,self.version)
+
+    return path_lib if os.path.exists(path_lib) else ''
+
+
+#--------------------------
+  def toolsPath(self):
+
+    path_MSC   = damask.Environment().options['MSC_ROOT']
+    path_tools = '{}/marc{}/tools'.format(path_MSC,self.version)
+
+    return path_tools if os.path.exists(path_tools) else ''
+
+
+#--------------------------
+  def submit_job(self,
+                 model,
+                 job          = 'job1',
+                 logfile      = False,
+                 compile      = False,
+                 optimization = '',
+                ):
+
+
+    damaskEnv = damask.Environment()
+   
+    user = os.path.join(damaskEnv.relPath('src'),'DAMASK_marc{}.{}'.format(self.version,'f90' if compile else 'marc'))
+    if not os.path.isfile(user):
+      raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),user))
+
+    # Define options [see Marc Installation and Operation Guide, pp 23]
+    script = 'run_damask_{}mp'.format(optimization)
+    
+    cmd = os.path.join(self.toolsPath(),script) + \
+          ' -jid ' + model + '_' + job + \
+          ' -nprocd 1  -autorst 0 -ci n  -cr n  -dcoup 0 -b no -v no'
+
+    if compile: cmd += ' -u ' + user + ' -save y'
+    else:       cmd += ' -prog ' + os.path.splitext(user)[0]
+
+    print('job submission {} compilation: {}'.format('with' if compile else 'without',user))
+    if logfile: log = open(logfile, 'w')
+    print(cmd)
+    process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)
+    log.close()
+    process.wait()
+      
+#--------------------------
+  def exit_number_from_outFile(self,outFile=None):
+    import string
+    exitnumber = -1
+    with open(outFile,'r') as fid_out:
+      for line in fid_out:
+        if (string.find(line,'tress iteration') != -1):
+          print(line)
+        elif (string.find(line,'Exit number')   != -1):
+          substr = line[string.find(line,'Exit number'):len(line)]
+          exitnumber = int(substr[12:16])
+
+    return exitnumber

python/damask/solver/solver.py

@@ -0,0 +1,6 @@
+class Solver():
+  """
+  General class for solver specific functionality.
+
+  Sub-classed by the individual solvers.
+  """