compute_forces_cart not found?

[stur86]

I've just installed DFTK using Pkg.add("DFTK") on Julia 1.4.1. The version used is v0.1.17. When I try using the command compute_forces_cart after importing DFTK and using it to solve the first tutorial the symbol can not be found. DFTK has methods compute_bands compute_current compute_density compute_kernel compute_partial_density! compute_χ0 but not for forces. Is this a bug, or do I simply need to update to the master version?

[antoine-levitt]

Yes that's a recent addition, you need to update to the newest version (or we need to tag a new version). Try add DFTK#master at the Pkg command line.

[antoine-levitt]

Ah yes this is because the documentation points to the master version. Hm. The proper solution could be to have two links, to dev and stable version, but given we do release new versions relatively frequently, we might as well systematically tag new versions when we make doc changes? Or tell the users to always install master versions, since we are relatively careful not to break master...

[stur86]

Ok, thanks, will do. Yes, maybe the documentation should be a bit clearer. Also, when I try, I get ERROR: "DFTK#master" is not a valid package name so there might be another problem there.

[antoine-levitt]

Really? I just tried

(@v1.5) pkg> add FFTW#master
    Cloning git-repo `https://github.com/JuliaMath/FFTW.jl.git`
   Updating git-repo `https://github.com/JuliaMath/FFTW.jl.git`
   Updating registry at `~/.julia/registries/General`
######################################################################## 100.0%
  Resolving package versions...
Updating `~/.julia/environments/v1.5/Project.toml`
  [7a1cc6ca] ~ FFTW v1.2.4 ⇒ v1.2.4 `https://github.com/JuliaMath/FFTW.jl.git#master`
Updating `~/.julia/environments/v1.5/Manifest.toml`
  [7a1cc6ca] ~ FFTW v1.2.4 ⇒ v1.2.4 `https://github.com/JuliaMath/FFTW.jl.git#master`

Where does your error come from?

[mfherbst]

The proper solution could be to have two links, to dev and stable version

Yes that's a good idea and not too hard to achieve.

Or tell the users to always install master versions, since we are relatively careful not to break master...

I veto that and you know it 😄

[antoine-levitt]

Can't blame me for trying ;-)

[stur86]

Really? I just tried

(@v1.5) pkg> add FFTW#master
    Cloning git-repo `https://github.com/JuliaMath/FFTW.jl.git`
   Updating git-repo `https://github.com/JuliaMath/FFTW.jl.git`
   Updating registry at `~/.julia/registries/General`
######################################################################## 100.0%
  Resolving package versions...
Updating `~/.julia/environments/v1.5/Project.toml`
  [7a1cc6ca] ~ FFTW v1.2.4 ⇒ v1.2.4 `https://github.com/JuliaMath/FFTW.jl.git#master`
Updating `~/.julia/environments/v1.5/Manifest.toml`
  [7a1cc6ca] ~ FFTW v1.2.4 ⇒ v1.2.4 `https://github.com/JuliaMath/FFTW.jl.git#master`

Where does your error come from?

The error was me trying to use Pkg.add("DFTK#master") from the Julia interpreter instead of using the REPL. I'd suggest that that needs fixing in the documentation too! The # probably confuses the interpreter.

[mfherbst]

Ah yes, that's indeed a typo. The correct command is

Pkg.add(name="DFTK", rev="master")

[antoine-levitt]

You have to use using DFTK (like with any other julia package) to get the names exported.

[antoine-levitt]

If there's a import DFTK in the docs it's a mistake

[mfherbst]

By the way ... docs and badge will be fixed in #372. Should go into master today.

[stur86]

If there's a import DFTK in the docs it's a mistake

Sorry, yes, I realised my mistake afterwards, hence why I deleted my post. Didn't notice the difference between using and import. I'm a novice at Julia.

[antoine-levitt]

Ah I was confused because the post appeared, disappeared and re-appeared. No worries, it takes a while to get these julia idiosyncrasies, especially if you don't have a julia afficionado on hand.

[mfherbst]

Actually it is very confusing and subject to debate amongst the Julia community. You're not the first to fall into that trap @stur86 😄.

[antoine-levitt]

Yeah I agree it's a bit annoying. Back when I started julia there was even importall which was even more confusing. Now I just always use using...