[QE-users] Is pw2wannier90.f90 not up-to-date with the one in wannier90 source code?

[Hongyi Zhao]

Hongyi Zhao <hongyi.zhao at gmail.com> 于2020年6月26日周五 上午7:05写道：
>
> Giovanni Pizzi <giovanni.pizzi at epfl.ch> 于2020年6月26日周五 上午12:48写道：
> >
> > Dear Hongyi,
> >
> > If you use the ‘develop’ branch of QE, the version you find in the git of QE is the most recent.
>
> I've already on the ‘develop’ branch for both QE and wannier90 but
> still I noticed the differences I posted here. See following for more
> information:
>
> werner at X10DAi-01:~/Public/hpc/tools/wannier90.git$ git branch
> * develop
> werner at X10DAi-01:~/Public/hpc/tools/wannier90.git$ git log | head -5
> commit 2f4aed6a35ab7e8b38dbe196aa4925ab3e9deb1b
> Merge: 7e1d806 5d872a9
> Author: Giovanni Pizzi <giovanni.pizzi at epfl.ch>
> Date:   Sun May 31 23:52:13 2020 +0200
>
> werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ git branch
> * develop
>   master
> werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ git log | head -5
> commit d0b4a1129cad460ed0306b3579d7e9f472b4f162
> Merge: f209acf62 a72b129b2
> Author: giannozz <paolo.giannozzi at uniud.it>
> Date:   Wed Jun 24 15:51:52 2020 +0000
>
> werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ diff
> PP/src/pw2wannier90.f90
> ../../tools/wannier90.git/pwscf/v6.5/pw2wannier90.f90 | wc
>     422    1759   14680

Furthermore, I also compared this file shipped in qe-6.5 with the
wannier90.git/pwscf/v6.5/pw2wannier90.f90, but still they are
different:

werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ git status
HEAD detached at qe-6.5
nothing to commit (use -u to show untracked files)

werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ diff
PP/src/pw2wannier90.f90
../../tools/wannier90.git/pwscf/v6.5/pw2wannier90.f90 | wc
    197     848    8196


>
>
>
> >
> > Here is the history:
> > https://gitlab.com/QEF/q-e/-/commits/develop/PP/src/pw2wannier90.f90
> > The new diff is in these two commits:
> > https://gitlab.com/QEF/q-e/-/commit/6147076521a62437068100e6fa5a36898061a482
> > https://gitlab.com/QEF/q-e/-/commit/ca5334bdb05e4fe85ec1eac182f352cddd365cd8
> >
> > If you use the released version 6.5, you might want to use the one from Wannier90 instead.
> >
> > In the Wannier90 repo we just keep patch versions to be applied to already released versions of QE, to ‘backport’ new functionality.
> > The code in the develop branch of QE should be at the most recent version in general (so it’s included in future releases).
> >
> > Best,
> > Giovanni
> >
> >
> >
> > --
> > Giovanni Pizzi
> > Theory and Simulation of Materials and MARVEL, EPFL
> > http://people.epfl.ch/giovanni.pizzi
> > http://nccr-marvel.ch/en/people/profile/giovanni-pizzi
> >
> > On 23 Jun 2020, at 06:55, Hongyi Zhao <hongyi.zhao at gmail.com> wrote:
> >
> > Hi,
> >
> > I noticed that the pw2wannier90.f90 in q-e is different from the one
> > shipped with wannier90 source code:
> >
> > werner at X10DAi-01:~/Public/hpc/tools/wannier90.git/pwscf/v6.5$ diff
> > pw2wannier90.f90 ../../../../q-e/q-e.git/PP/src/pw2wannier90.f90 | wc
> >    422    1759   14680
> >
> > Should I replace it with the one in wannier90 while compiling q-e? Any
> > hints for this problem?
> > --
> > Hongyi Zhao <hongyi.zhao at gmail.com>
> > _______________________________________________
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> > users mailing list users at lists.quantum-espresso.org
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> >
> >
> > _______________________________________________
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>
>
>
> --
> Hongyi Zhao <hongyi.zhao at gmail.com>



-- 
Hongyi Zhao <hongyi.zhao at gmail.com>