[gpaw-users] Installation of LibXC 4.0.0 trunk + GPAW1.3.0 + ASE

[Ask Hjorth Larsen]

2018-02-07 12:37 GMT+01:00 Caro Miguel via gpaw-users
<gpaw-users at listserv.fysik.dtu.dk>:
> Hi Vladislav,
>
> I recently had the same problem, which should be solved in the development
> version. If you google it, you'll find a mention on Gitlab to this
> functional missing from the new LibXC. If you want to use the latest GPAW
> stable release you need to roll back your LibXC installation to a previous
> version.

This sounds like a good reason to do a new GPAW release soon.

Best regards
Ask

>
> Hope this helps,
> Miguel
>
> Sent from my Huawei Mobile
>
>
> -------- Original Message --------
> Subject: [gpaw-users] Installation of LibXC 4.0.0 trunk + GPAW1.3.0 + ASE
> From: Vladislav Ivanistsev via gpaw-users
> To: gpaw-users at listserv.fysik.dtu.dk
> CC:
>
> Hello,
>
> I have encountered the same error while installing GPAW on different Ubuntu
> 16.04 machines.
>
> My installation is described here:
> http://doublelayer.eu/tartu/2018/02/07/installation-of-libxc-4-0-0-trunk-gpaw1-3-0-ase/
>
> Could you please comment what does this line do:
> "xc_mgga_x_tb09_set_params(self->functional[0], c);"?
>
> Let me advise to add a comment about python version to your installation
> guideline. On the older machines Python 2.7 is still used as default, so
> "python3 setup.py install --user" leads to an unusable GPAW.
>
> With best regards,
> Vladislav
>
> --
> PhD Vladislav Ivaništšev
> Institute of Chemistry, University of Tartu
> Ravila 14a, 50411, Tartu, Estonia
> ut.ee/~vi
> +372 55 685357
> linkedin.com/pub/vladislav-ivanistsev/40/479/1a7
> researchgate.net/profile/Vladislav_Ivanistsev
>
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