[QE-users] QE build for Windows under MSYS2 ....

Fedor goumans at scm.com
Fri Mar 21 16:48:24 CET 2025


Dear all, 
Sorry for a successful Windows compilation you also need this change: 
https://gitlab.com/max-centre/components/devicexlib/-/merge_requests/14
Which hasn’t been merged yet. 

Kind regards,
Fedor

--
Dr. T. P. M. (Fedor) Goumans
Chief Customer Officer
Software for Chemistry & Materials BV
De Boelelaan 1083
1081 HV Amsterdam, The Netherlands

https://www.scm.com
https://www.linkedin.com/company/software-for-chemistry-&-materials




> On 21 Mar 2025, at 16:32, Fedor via users <users at lists.quantum-espresso.org> wrote:
> 
> Hi Michal,
> 
> We have integrated QE in the Amsterdam Modeling Suite and within the suite you can deploy binaries for Windows, MacOS, and Linux. 
> Maybe the compilation script here for our Jenkins bot https://gitlab.com/scm-bv/amspackages_qe/-/blob/main/jenkins-tools/jenkins_build_qe.sh
> helps you to build your own Windows binaries? 
> Of course you are welcome to try out QE-in-AMS as well, you can request a free trial on our website. 
> 
> Kind regards,
> Fedor
> 
> 
> --
> Dr. T. P. M. (Fedor) Goumans
> Chief Customer Officer
> Software for Chemistry & Materials BV
> De Boelelaan 1083
> 1081 HV Amsterdam, The Netherlands
> 
> https://www.scm.com
> https://www.linkedin.com/company/software-for-chemistry-&-materials
> 
> 
> 
> 
>> On 20 Mar 2025, at 10:46, Michal Husak via users <users at lists.quantum-espresso.org> wrote:
>> 
>> Does any body have a functional work flow how to build Quantum Espresso
>> for Windows under msys2 or cygwin ?
>> Preferably with MPI support ...
>> 
>> The binary distributed for as part of msys2 looks non functional:
>> https://github.com/msys2/MINGW-packages/issues/23115#issuecomment-2739635044
>> 
>> Michal Husak
>> UCT Prague
>> 
>> _______________________________________________________________________________
>> The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
>> --------------------------------------------------------------------------------
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
> 
> _______________________________________________________________________________
> The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
> --------------------------------------------------------------------------------
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



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