jjgomera / pychemqt Goto Github PK

Make binaries for windows and ubuntu/linux available on github

On line 43 of costIndex.py there is an issue with converting str to float

indiceActual.append(float(archivo.readline()))

On line 44 codeEditor.py there is an issue with QsciScintilla, saying name is not defined

Hi, I am working to use GERG-2008 to calculate flash model. I have a question about the density calculation.
The code

            if T and P:
                rhoo = 2.
                rho = fsolve(lambda rho: self._solve(rho, T)["P"]-P*1e6, rhoo)

seems need manually guess a density. However, if the guess is too far away from the root, the code can not run successfully. So I am wondering when it comes to phase envelope calculation, how can I manually change the guess figure? Can you modify this part? Thank you so much!

Hi there,
I installed pychemqt in a miniconda environment via python setup.py install.

When I try to run pychemqt via python pychemqt.py I receive the following error:

QApplication: invalid style override passed, ignoring it. Available styles: Windows, Fusion Traceback (most recent call last): File "pychemqt.py", line 150, in <module> mayor, minor, corr = map(int, matplotlib.__version__.split(".")) ValueError: invalid literal for int() with base 10: '0rc2'

Fixed this by installing matplotlib via conda install matplotlib.

File "/home/cmh/mygit/pychemqt/lib/sql.py", line 48, in
databank_Custom.execute("SELECT COUNT(*) AS Total FROM compuestos")
sqlite3.OperationalError: no such table: compuestos

change sql.py

databank_Custom_name = conf_dir +'databank.db'

to

databank_Custom_name = conf_dir +'dat'+os.sep+'databank.db'

When running pychemQT, I recieve the following error. Is it due the lack of some modules? I see this was an issue in the past.
I am using a system with the following specifications

• Windows 10
• Conda enviroment
• Python 3.6.4

Apperently something has changed since Python 3.6.
Pydocs os.path.join() Perhaps this is a source of the issue?

freesteam thermal option disabled
coolprop thermal option disabled
refprop thermal option disabled
graphic formula disabled
openoffice/libreoffice interaction disabled
Unicode collation algorithm for improved string sorting disabled
Pdf report exporting disabled
Qscintilla custom module editor disabled
Traceback (most recent call last):

  File "<ipython-input-1-d04ad148cb76>", line 1, in <module>
    runfile('C:/Users/nldevriesj/Documents/Programmeren/pychemqt_Ahmad/pychemqt.py', wdir='C:/Users/nldevriesj/Documents/Programmeren/pychemqt_Ahmad')

  File "C:\Users\nldevriesj\AppData\Local\Continuum\anaconda3\lib\site-packages\spyder\utils\site\sitecustomize.py", line 705, in runfile
    execfile(filename, namespace)

  File "C:\Users\nldevriesj\AppData\Local\Continuum\anaconda3\lib\site-packages\spyder\utils\site\sitecustomize.py", line 102, in execfile
    exec(compile(f.read(), filename, 'exec'), namespace)

  File "C:/Users/nldevriesj/Documents/Programmeren/pychemqt_Ahmad/pychemqt.py", line 360, in <module>
    from lib import *  # noqa

  File "C:\Users\nldevriesj\Documents\Programmeren\pychemqt_Ahmad\lib\__init__.py", line 41, in <module>
    __import__(child_module)

  File "C:\Users\nldevriesj\Documents\Programmeren\pychemqt_Ahmad\lib\corriente.py", line 35, in <module>
    from lib import EoS, mEoS, gerg, iapws97, freeSteam, refProp, coolProp

  File "C:\Users\nldevriesj\Documents\Programmeren\pychemqt_Ahmad\lib\gerg.py", line 50, in <module>
    class GERG(object):

  File "C:\Users\nldevriesj\Documents\Programmeren\pychemqt_Ahmad\lib\gerg.py", line 71, in GERG
    "mEoS_Fij.pkl"), "rb"))

ValueError: could not convert string to float

Hi devs,

It's great to see folks developing open source simulation software! I'm guessing you have, but I'm curious, have you had any discussion with Daniel Wagner who is the developer of DWSIM (https://github.com/DanWBR/dwsim)? There could be opportunities to join efforts in this space.

Keep up the great work!

Having the following error:

ImportError: cannot import name 'QtWebKitWidgets'

It seems QtWebKitWidgets got deprecated, on version 5.5/5.6 and probably replaced with QtWebEngineWidgets

Having an error, that is unable to convert str to float on windows 10, in lib/gerg.py, line 70 and 71

Not really sure how to fix it

Hello,

that is a very useful program. I have built everything just like in the readme and the .travis.yml described. After runing the "pychemqt.py" the following error occurs:

File "pychemqt.py", line 102, in
path = QtCore.QLibraryInfo.path(QtCore.QLibraryInfo.LibraryPath.TranslationsPath)
AttributeError: type object 'LibraryLocation' has no attribute 'TranslationsPath'

What should I do to avoid this Error?

Hi,

Due to a new milestone of SciPy to 1.0.0 . pychemqt does think my version is too old.

Greetings

On the first run of pychemqt, with python 3.4.3 and pyqt5, both for x64 windows, I am having the current issue
Traceback (most recent call last):
File "C:\Users\Pedro\Desktop\pychemqt-py3qt5\pychemqt.py", line 62, in
format='[%(asctime)s.%(msecs)d] %(levelname)s: %(message)s')
File "C:\Python34\lib\logging__init__.py", line 1739, in basicConfig
h = FileHandler(filename, mode)
File "C:\Python34\lib\logging__init__.py", line 1006, in init
StreamHandler.init(self, self.open())
File "C:\Python34\lib\logging__init_.py", line 1030, in _open
return open(self.baseFilename, self.mode, encoding=self.encoding)
FileNotFoundError: [Errno 2] No such file or directory: 'C:\Users\Pedro.pychemqt\pychemqt.log'

As the tittle suggests, pychemqt could include all dependencies and optional applications included in the pychemqt sourcecode, taking it less time to start taking full advantage of the software

Thanks

Because of freesteam software, so I can't run this software on windows.
Hope ypu can guide me how to run it ?
Thanks.