def _launch_pcgamess(self):
"""
Run PC GAMESS (Windows only).
PC GAMESS creates 2 output files:
- the DAT file, called "PUNCH", is written to the directory from which
PC GAMESS is started. This is why we chdir to the Gamess temp directory
before we run PC GAMESS.
- the OUT file (aka the log file), which we name jigname.out.
Returns: 0 = Success
1 = Cancelled
2 = Failed
"""
oldir = os.getcwd() # Save current directory
jobDir = os.path.dirname(self.job_batfile)
os.chdir(jobDir) # Change directory to the GAMESS temp directory.
## print "Current directory is: ", jobDir
DATfile = os.path.join(jobDir, "PUNCH")
if os.path.exists(DATfile): # Remove any previous DAT (PUNCH) file.
print "run_pcgamess: Removing DAT file: ", DATfile
os.remove(DATfile)
# Hours wasted testing this undocumented tripe. Here's the deal: When using spawnv
# on Windows, any args that might have spaces must be delimited by double quotes.
# Mark 050530.
#program = "\"" + self.job_batfile + "\""
#args = [program, ]
# Here's the infuriating part. The 2nd arg to spawnv cannot have double quotes, but the
# first arg in args (the program name) must have the double quotes if there is a space in
# self.gms_program.
#print "program = ", program
#print "Spawnv args are %r" % (args,) # this %r remains (see above)
#os.spawnv(os.P_WAIT, self.job_batfile, args)
arg_list = ['-i', self.job_inputfile, '-o', self.job_outputfile]
args = QStringList()
for s in arg_list:
args.append(str(s))
process = QProcess()
process.start(self.server.program, args)
# Blocks for n millisconds until the process has started and started()
# signal is emitted. Returns true if the process was started successfullly.
if not process.waitForStarted(2000):
print "The process can't be started."
return 2
progressDialog = self.showProgress()
progressDialog.show()
i = 55
pInc = True
while process.state() == QProcess.Running:
env.call_qApp_processEvents() #bruce 050908 replaced qApp.processEvents()
if progressDialog.wasCanceled():
process.kill()
os.chdir(oldir)
return 1 # Job cancelled.
progressDialog.setValue(i)
if pInc:
if i < 75: i += 1
else: pInc = False
else:
if i > 55: i -= 1
else: pInc = True
# Do sth here
time.sleep(0.05)
if not process.state() == QProcess.Running:
break
progressDialog.setValue(100)
progressDialog.accept()
os.chdir(oldir)
self.gamessJig.outputfile = self.job_outputfile
return 0 # Success
def _launch_pcgamess(self):
"""
Run PC GAMESS (Windows only).
PC GAMESS creates 2 output files:
- the DAT file, called "PUNCH", is written to the directory from which
PC GAMESS is started. This is why we chdir to the Gamess temp directory
before we run PC GAMESS.
- the OUT file (aka the log file), which we name jigname.out.
Returns: 0 = Success
1 = Cancelled
2 = Failed
"""
oldir = os.getcwd() # Save current directory
jobDir = os.path.dirname(self.job_batfile)
os.chdir(jobDir) # Change directory to the GAMESS temp directory.
## print "Current directory is: ", jobDir
DATfile = os.path.join(jobDir, "PUNCH")
if os.path.exists(DATfile): # Remove any previous DAT (PUNCH) file.
print "run_pcgamess: Removing DAT file: ", DATfile
os.remove(DATfile)
# Hours wasted testing this undocumented tripe. Here's the deal: When using spawnv
# on Windows, any args that might have spaces must be delimited by double quotes.
# Mark 050530.
#program = "\"" + self.job_batfile + "\""
#args = [program, ]
# Here's the infuriating part. The 2nd arg to spawnv cannot have double quotes, but the
# first arg in args (the program name) must have the double quotes if there is a space in
# self.gms_program.
#print "program = ", program
#print "Spawnv args are %r" % (args,) # this %r remains (see above)
#os.spawnv(os.P_WAIT, self.job_batfile, args)
arg_list = ['-i', self.job_inputfile, '-o', self.job_outputfile]
args = QStringList()
for s in arg_list:
args.append(str(s))
process = QProcess()
process.start(self.server.program, args)
# Blocks for n millisconds until the process has started and started()
# signal is emitted. Returns true if the process was started successfullly.
if not process.waitForStarted(2000):
print "The process can't be started."
return 2
progressDialog = self.showProgress()
progressDialog.show()
i = 55
pInc = True
while process.state() == QProcess.Running:
env.call_qApp_processEvents(
) #bruce 050908 replaced qApp.processEvents()
if progressDialog.wasCanceled():
process.kill()
os.chdir(oldir)
return 1 # Job cancelled.
progressDialog.setValue(i)
if pInc:
if i < 75: i += 1
else: pInc = False
else:
if i > 55: i -= 1
else: pInc = True
# Do sth here
time.sleep(0.05)
if not process.state() == QProcess.Running:
break
progressDialog.setValue(100)
progressDialog.accept()
os.chdir(oldir)
self.gamessJig.outputfile = self.job_outputfile
return 0 # Success
