[ase-users] [gpaw-users] ASE installation for windows
Marcin Dulak
Marcin.Dulak at fysik.dtu.dk
Mon Nov 3 17:23:25 CET 2014
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
> <mailto: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 <mailto: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
>> <mailto: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
>>> <mailto: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
>>>> <mailto: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
>>>>> <mailto: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
>>>>>> <mailto: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 list
>>> gpaw-users at listserv.fysik.dtu.dk <mailto:gpaw-users at listserv.fysik.dtu.dk>
>>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>>
>>
>
>
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