Running Ghemical 2.10 on Windows using Cygwin

Knoppix CD Available

Vigyaan has released a Knoppix CD for x86 (windows) machineswhich containst Ghemical-GMS, GTK-Gamess and GAMESS all on a bootable linux CD ISO which can be downloaded here.

Known Issues

Cygwin doesn't seem to allow OpenBabel to load it's dynamic import libraries so currently import/export using openbabel doesn't work. We are working on a fix.

Submitting to GTK-Gamess doesn't currently forgive spaces in the path name. It will be updated in the next version, however, for now save your gamess input file and open the file from GTK-Gamess. This is a known issue with Cygwin. Avoiding directories that contain spaces will help resolve this problem.

WinGAMESS

To get GTK-Gamess and GAMESS computations from Ghemical working properly. You _must_ download and install WinGAMESS (to the default location C:\WinGAMESS) from the GAMESS website which can be found here. You must register for licensing reasons if you haven't already done so. Once you have done so you can download the WinGAMESS.current.msi which is the WinGAMESS installer. It is important that WinGAMESS be installed to C:\WinGAMESS.

Installation Instructions

1. Download the ghemical-2.10-w32.zip file.
2. Extract the zip file to your C:\ directory. (this will create a ghemical folder)
3. Double-click the 'ghemical.reg' (64-bit windows users should use 'ghemical64.reg'). 4. Run the 'setupenv.bat' to complete setup.

Usage

Included in the C:\ghemical directory are a set of batch (.bat) files; cygwin, xterm, ghemical. If you required more than one ghemical window, you should run 'xterm.bat' and from there you will recieve a terminal window where you can type 'ghemical &' to execute multiple ghemical windows. Note: closing the Xterm window will close the X11 server and as a result will close any ghemical / gtk-gamess apps currently running.

Known Issues

EFP functions in the windows version have been disabled because the interaction with openbabel in cygwin causes ghemical to crash. We are looking into this issue and will hopefully have it resolved by the next release.

Ghemical Windows Downloads

  1. ghemical-2.10-w32.zip ( Contains ghemical, ghemical extensions and gtk-gamess. )