[gpaw-users] [ase-users] ASE installation for windows

Tue Nov 4 10:59:21 CET 2014

Hi,
Do I need to uninstall the existing ASE, as I am seeing you wrote in the
GPAW website "The installer includes also the latest ASE". Have you
combined GPAW and ASE trunks in one installer?

Thanks,
Zahid

On Tue, Nov 4, 2014 at 10:38 AM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>
wrote:

>  On 11/03/2014 09:01 PM, Zahid Hasan wrote:
>
> Dear Marcin,
> I have downloaded the latest GPAW snapshot from the following webpage
> https://wiki.fysik.dtu.dk/gpaw/download.html. I have used "Python
> setup.py bdist_msi" to generate the windows installer. Although it starts
> to run but it shows at the end "unable to find vcvarsall.bat" and creats a
> folder named "bound". Can you please tell me what will be the cmd python
> command to generate the GPAW msi installer for windows? Or is there
> anything else I have to do!!
>
> the process is a  bit involved, see
> http://listserv.fysik.dtu.dk/pipermail/gpaw-users/2013-August/002264.html
> I have updated msi of ASE and GPAW to the latest trunk versions.
> Please distinguish between ase-users and gpaw-users mailing lists when
> asking questions.
>
> Best regards,
>
> Marcin
>
>
>  Best regards,
> Zahid
>
> On Mon, Nov 3, 2014 at 6:08 PM, Zahid Hasan <missionpagla at gmail.com>
> wrote:
>
>> Dear Marcin,
>> Thanks a lot and the ASE problem is solved. Now I have first installed
>> GPAW and thereafter have unpacked the GPAW setups under C:gpaw-setups.
>> When I run the first GPAW tutorial, it shows "exception runtime
>> error<sys.meta_path must be a list of import hooks>in >bound method
>> GPAW._del_of<gpaw.aseinterface-gpaw instance ignored".
>>
>>  Have I done anything wrong?
>>
>>  Thank you.
>>  Zahid
>>
>> On Mon, Nov 3, 2014 at 5:23 PM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>
>> wrote:
>>
>>>  On 11/03/2014 04:02 PM, Zahid Hasan wrote:
>>>
>>> Hi,
>>> I have generated the msi from the newest one ASE-3.8.1.3440.. but
>>> unfortunately its showing the same error message, when I run the script.
>>>
>>> you need the latest trunk - this means a development snapshot:
>>> https://wiki.fysik.dtu.dk/ase/download.html
>>>
>>> Best regards,
>>>
>>> Marcin
>>>
>>>
>>> On Mon, Nov 3, 2014 at 3:42 PM, Zahid Hasan <missionpagla at gmail.com>
>>> wrote:
>>>
>>>> Do I need at first to uninstall the installed one and reinstall the new
>>>> trunk with the generated msi in dist folder?
>>>>
>>>> On Mon, Nov 3, 2014 at 3:25 PM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk
>>>> > wrote:
>>>>
>>>>>  On 11/03/2014 03:19 PM, Zahid Hasan wrote:
>>>>>
>>>>> Hi,
>>>>> Which is the latest ASE trunk? Can you please send me the link to
>>>>> download?
>>>>>
>>>>> there is no msi for the ASE trunk.
>>>>> You need to create the bdist_msi package by downloading the latest
>>>>> tarball
>>>>> and creating it as described at
>>>>> https://wiki.fysik.dtu.dk/ase/download.html#windows
>>>>>
>>>>>
>>>>> Best regards,
>>>>>
>>>>> Marcin
>>>>>
>>>>>
>>>>>  Thanks,
>>>>> Zahid
>>>>>
>>>>> On Mon, Nov 3, 2014 at 3:13 PM, Marcin Dulak <
>>>>> Marcin.Dulak at fysik.dtu.dk> wrote:
>>>>>
>>>>>>  Hi,
>>>>>>
>>>>>> On 11/03/2014 02:57 PM, Zahid Hasan wrote:
>>>>>>
>>>>>> Dear all,
>>>>>> I tried to run the attached script of genetic algorithm in ASE
>>>>>> windows installation. But it shows "no module named ga.data" is found. Can
>>>>>> you please tell what the problem is.
>>>>>>
>>>>>>  you need to install the latest ASE trunk in order to use it.
>>>>>>
>>>>>> Best regards,
>>>>>>
>>>>>> Marcin
>>>>>>
>>>>>>
>>>>>>  Thanks,
>>>>>> Zahid
>>>>>>
>>>>>> On Sat, Nov 1, 2014 at 1:37 PM, Marcin Dulak <
>>>>>> Marcin.Dulak at fysik.dtu.dk> wrote:
>>>>>>
>>>>>>>  Hi,
>>>>>>>
>>>>>>> On 11/01/2014 01:26 PM, Zahid Hasan wrote:
>>>>>>>
>>>>>>> Dear Marcin,
>>>>>>> What do you mean by "unpack the setups".
>>>>>>>
>>>>>>> you need to unpack https://wiki.fysik.dtu.dk/gpaw/setups/setups.html
>>>>>>> under C:\gpaw-setups,
>>>>>>> so the *gz files are located directly under this directory.
>>>>>>>
>>>>>>> Best regards,
>>>>>>>
>>>>>>> Marcin
>>>>>>>
>>>>>>>
>>>>>>>  Regards,
>>>>>>> Zahid
>>>>>>>
>>>>>>> On Sat, Nov 1, 2014 at 1:13 PM, Marcin Dulak <
>>>>>>> Marcin.Dulak at fysik.dtu.dk> wrote:
>>>>>>>
>>>>>>>>  On 11/01/2014 12:45 PM, Zahid Hasan wrote:
>>>>>>>>
>>>>>>>> Dear Marcin, Thank you for the mail. I am getting difficulty to
>>>>>>>> install GPAW in windows. Can you please send me an step by step
>>>>>>>> instruction, how to go for it, if you have. I have seen in the webpage. But
>>>>>>>> whether I need the C compiler and LibXC for that I don't know.
>>>>>>>>
>>>>>>>>  it should be enough to follow the instructions:
>>>>>>>> https://wiki.fysik.dtu.dk/gpaw/install/installationguide.html#windows
>>>>>>>> It's msi installer that should contain  everything. If IE renames
>>>>>>>> the msi file into man
>>>>>>>> (see
>>>>>>>> http://answers.microsoft.com/en-us/ie/forum/ie9-windows_7/downloading-an-msi-file-renames-it-man-really/590868e5-d0a4-4815-99b9-667a097340a3?msgId=e4ec196b-9b41-49a4-999a-cf6d9e6fa5c3)
>>>>>>>> just rename the file back to msi.
>>>>>>>> Don't forget to unpack the setups.
>>>>>>>>
>>>>>>>> Best regards,
>>>>>>>>
>>>>>>>> Marcin
>>>>>>>>
>>>>>>>>
>>>>>>>>  Thank you.
>>>>>>>> Zahid
>>>>>>>>
>>>>>>>> On Sat, Nov 1, 2014 at 12:36 PM, Marcin Dulak <
>>>>>>>> Marcin.Dulak at fysik.dtu.dk> wrote:
>>>>>>>>
>>>>>>>>>  Hi,
>>>>>>>>>
>>>>>>>>> On 10/31/2014 10:41 PM, Zahid Hasan wrote:
>>>>>>>>>
>>>>>>>>> Hi,
>>>>>>>>> I have sent a request 1 week back to put me in the user list. But
>>>>>>>>> got no reply.
>>>>>>>>>
>>>>>>>>>  i don't see anything pending on ase-users. Simply send mail with
>>>>>>>>> the question to the list
>>>>>>>>> - no need to register in advance.
>>>>>>>>>
>>>>>>>>> Best regards,
>>>>>>>>>
>>>>>>>>> Marcin
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>  Thanks,
>>>>>>>>> Zahid
>>>>>>>>>
>>>>>>>>> On Fri, Oct 31, 2014 at 7:08 PM, Marcin Dulak <
>>>>>>>>> Marcin.Dulak at fysik.dtu.dk> wrote:
>>>>>>>>>
>>>>>>>>>>  Hi,
>>>>>>>>>>
>>>>>>>>>> please ask questions on the ase-users mailing list.
>>>>>>>>>> When reporting problems provide the full script and the error
>>>>>>>>>> message.
>>>>>>>>>> The attached script works for me.
>>>>>>>>>>
>>>>>>>>>> Best regards,
>>>>>>>>>>
>>>>>>>>>> Marcin
>>>>>>>>>>
>>>>>>>>>> On 10/28/2014 05:34 PM, Zahid Hasan wrote:
>>>>>>>>>>
>>>>>>>>>>  io.write('spacegroup-al.pov', al,
>>>>>>>>>>          transparent=False,
>>>>>>>>>>          display=False,
>>>>>>>>>>          run_povray=True,
>>>>>>>>>>          camera_type='perspective',
>>>>>>>>>>          canvas_width=320,
>>>>>>>>>>          radii=0.4,
>>>>>>>>>>          rotation='90y',
>>>>>>>>>>          bondlinewidth=0.07,
>>>>>>>>>>          bondatoms=bondatoms,
>>>>>>>>>>          )
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>
>>>>>>
>>>>>>  _______________________________________________
>>>>>> gpaw-users mailing listgpaw-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>>>>>>
>>>>>>
>>>>>>
>>>>>
>>>>
>>>
>>>
>>
>
>
> _______________________________________________
> ase-users mailing listase-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20141104/e72c4e3e/attachment-0001.html>