Feedback from JRES in Dijon

Feedback from JRES in Dijon

[Julien Lepiller]

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Hi Guix!

I presented the project at JRES yesterday and had lots of questions and reactions.

One person was wondering whether Guix would be a good idea for there cluster. I said yes then I redirected them to guix hpc.

Another wanted to have some kind of doi for guix describe + manifest (a better UI and easier thing to cite in a paper I suppose).

Another was asking about the possibility ofusing Guix to have multiple kernels and boot a debian with guix's kernel (so as to choose a compatible kernel at boot iiuc).

The person I talked to at lunch was a bit skeptical about Guix. They have it and Nix, with module on their cluster. They told me they were more concerned about replicability than reproducibility. Also, their users are lost between the options, they have trouble getting help on guix from their admins and they end up using conda, yet another tool ^^".

That's only a few conversations that really marked me, but I had more, and I'll hopefully have more this afternoon and tomorrow.

Marc, who organised the guile and guix days in Strasbourg last summer is here too and said he will write a tutorial on using vin to program in scheme. I'm lookinq forward to reading it!

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Re: Feedback from JRES in Dijon

[Pierre Neidhardt]

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Thanks for the feedback!

> The person I talked to at lunch was a bit skeptical about Guix. They
> have it and Nix, with module on their cluster. They told me they were
> more concerned about replicability than reproducibility.

What's replicability?

-- 
Pierre Neidhardt
https://ambrevar.xyz/

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Re: Feedback from JRES in Dijon

[Julien Lepiller]

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So they are doing physical simulation (fluid dynamics), so they don't (can't) get the same result when running the same experiment twice. They wart replicability, that is, even if the results are different, they are close enough to each other that you have to draw the same scientific conclusion, independent of your compiler or other package inputs.

Le 5 décembre 2019 15:34:15 GMT+01:00, Pierre Neidhardt <mail@ambrevar.xyz> a écrit :
>Thanks for the feedback!
>
>> The person I talked to at lunch was a bit skeptical about Guix. They
>> have it and Nix, with module on their cluster. They told me they were
>> more concerned about replicability than reproducibility.
>
>What's replicability?
>
>-- 
>Pierre Neidhardt
>https://ambrevar.xyz/

-- 
Envoyé de mon appareil Android avec Courriel K-9 Mail. Veuillez excuser ma brièveté.

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Re: Feedback from JRES in Dijon

[Konrad Hinsen]

Hi Julien and Pierre,

> So they are doing physical simulation (fluid dynamics), so they don't
> (can't) get the same result when running the same experiment
> twice. They wart replicability, that is, even if the results are
> different, they are close enough to each other that you have to draw
> the same scientific conclusion, independent of your compiler or other
> package inputs.

That's a common point of view in the numerical simulation community.
What the people defending it don't realize is that both reproducibility
and replicability matter, but in different situations and for different
reasons. Reproducibility matters for verification ("was the computation
done correctly?"), replicability matters for validation ("was the
computation the right one for the scientific question?").

Moreover, there is a practical use for reproducibility when checking for
replicability. Suppose you have a program and a result, then you run the
program with a different compiler and get a different result, too
different to be scientifically equivalent. No replicability. Then what?
How do you figure out what went wrong? The very first thing you want to
check is reproducibility: can you get the same result by using the same
compiler? If yes, fine, you can then look at intermediate results in
both versions of the computation to figure out where the differences
come from. If not, there is no point in wasting time on that: there is
something wrong with the code or the data you got, and you have to check
your sources first.

Giving up on reproducibility thus means giving up a valuable debugging
technique.

Cheers,
  Konrad

Re: Feedback from JRES in Dijon

[zimoun]

Hi,

On Thu, 5 Dec 2019 at 16:45, Konrad Hinsen <konrad.hinsen@fastmail.net> wrote:

> > So they are doing physical simulation (fluid dynamics), so they don't
> > (can't) get the same result when running the same experiment
> > twice. They wart replicability, that is, even if the results are
> > different, they are close enough to each other that you have to draw
> > the same scientific conclusion, independent of your compiler or other
> > package inputs.
>
> That's a common point of view in the numerical simulation community.
> What the people defending it don't realize is that both reproducibility
> and replicability matter, but in different situations and for different
> reasons. Reproducibility matters for verification ("was the computation
> done correctly?"), replicability matters for validation ("was the
> computation the right one for the scientific question?").

If I might, one the best presentation [1] -- that I am aware of -- on
this. Sorry in French.

[1] https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf

Maybe we could convert it to an entry for the HPC blog. What do you think?


Cheers,
simon

Re: Feedback from JRES in Dijon

[Bengt Richter]

Hi zimoun,

On +2019-12-05 16:52:47 +0100, zimoun wrote:
> Hi,
> 
> On Thu, 5 Dec 2019 at 16:45, Konrad Hinsen <konrad.hinsen@fastmail.net> wrote:
> 
> > > So they are doing physical simulation (fluid dynamics), so they don't
> > > (can't) get the same result when running the same experiment
> > > twice. They wart replicability, that is, even if the results are
> > > different, they are close enough to each other that you have to draw
> > > the same scientific conclusion, independent of your compiler or other
> > > package inputs.
> >
> > That's a common point of view in the numerical simulation community.
> > What the people defending it don't realize is that both reproducibility
> > and replicability matter, but in different situations and for different
> > reasons. Reproducibility matters for verification ("was the computation
> > done correctly?"), replicability matters for validation ("was the
> > computation the right one for the scientific question?").
> 
> If I might, one the best presentation [1] -- that I am aware of -- on
> this. Sorry in French.
> 
> [1] https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
> https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
>

Is [1] available as a libre video download?
My current youtube-dl could not find the video of [1], though I watched it with firefox.
I think it would be good for my French, such as it is, to watch that a few times ;-)

IMO if you can't reproduce bit-identical results, you should find out _exactly_ why.
And if you do get exactly the same result, you should also know exactly why ;-)

IME, in the process of figuring out the explanations you will always learn something.

You may be reproducing perfectly a biased result which could be improved as
a numerical result by counter-intuitively adding noise to the inputs
(to spread roundoff across the lsb roundoff boundary so that a mean will show
where in the interval the best estimate fell).

And if you are on the hairy edge of having a non-singular matrix to invert,
results can change because your thread got interrupted at a point where fp regs
got stored as 64 bits and thus restored with different precision than if the
interrupt didn't happen. Just because someone logged in remotely for unrelated reasons.

Such an infinitesimal value change can change the search order for pivot point in a matrix
and change the order of computation, or even make zero elements that otherwise differed
enough to make the inversion possible. And maybe you shouldn't actually store an inverse
from a library routine and then multiply, but rewrite your algorith to avoid truncations-
Of course your results may still be unusably sensitive ;-)

OTOH, you may notice that your algorithm would do much better if you pre-translated your
inputs to a better coordinate system orgin (e.g. to make lots of off-diagonal exact zeroes).

You may want to analyze how roundoff errors propagate through a Kalman filter vs a direct MLE version,
to see at what bit region in your numerical results input effects turn to computational artifacts,
to judge how to express your idea of the scientific significance of your results.

The video touches on IEEE 754 (and I do believe the lecturer understands these issues, but
he says (IIU.fr :) no programming language gives control over the FPU -- is that true?? I mean,
including on-the-metal x86_64 assembly language?? I thought you could set all those bits
that the firmware pays attention to, no?)

BTW, if you are interested in floating point, links from here should be fun:

--8<---------------cut here---------------start------------->8---
https://en.wikipedia.org/wiki/William_Kahan
--8<---------------cut here---------------end--------------->8---

Hey, in the '60s we wrote floating point in assembler, (after having written the assembler
for the custom system :) and were happy to get division timed under a millisecond ;-) Time flies :)

> Maybe we could convert it to an entry for the HPC blog. What do you think?
> 
> 
> Cheers,
> simon
> 

-- 
Regards,
Bengt Richter

Re: Feedback from JRES in Dijon

[Konrad Hinsen]

Hi Bengt,

>> [1] https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
>> https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
>>
>
> Is [1] available as a libre video download?

No idea. I can answer most questions about the content since I am the
speaker, but I was not involved with recording and publishing.

> IMO if you can't reproduce bit-identical results, you should find out _exactly_ why.
> And if you do get exactly the same result, you should also know exactly why ;-)

That's a nice way to put it!

> The video touches on IEEE 754 (and I do believe the lecturer
> understands these issues, but he says (IIU.fr :) no programming
> language gives control over the FPU -- is that true?? I mean,
> including on-the-metal x86_64 assembly language??

I wouldn't count that as a programming language, but that is of course
debatable. For me, a programming language is a platform-neutral medium
that can be run on any type of computer. And yes, you can argue that
the subset of x86 assembly that doesn't manipulate hardware other than
registers fits that definition, but you have to draw the line somewhere.

More interestingly (definitions aren't really interesting), I am of
course not certain that there is no programming language that gives
access to the full IEEE754 programming model. I am not aware of any,
but if there is, I'd like to find out!

> BTW, if you are interested in floating point, links from here should be fun:
>
> --8<---------------cut here---------------start------------->8---
> https://en.wikipedia.org/wiki/William_Kahan
> --8<---------------cut here---------------end--------------->8---

Indeed. For those unfamiliar with that name, Kahan designed the 8087
floating-point processor for Intel and was the main driver behind the
IEEE 754 standardization effort.

Cheers,
  Konrad.

Re: Feedback from JRES in Dijon

[Timothy Sample]

Hello,

Konrad Hinsen <konrad.hinsen@fastmail.net> writes:

> Hi Bengt,
>
>>> [1]
>>> https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
>>> https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
>>>
>>
>> Is [1] available as a libre video download?
>
> No idea. I can answer most questions about the content since I am the
> speaker, but I was not involved with recording and publishing.

I was able to play it on Guix System with VLC.  The following URL uses
“MPEG-DASH” for streaming, and VLC understands that.

    https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd

Unfortunately, I got certificate errors, but VLC lets you temporarily
ignore those.

HTH!

(Thanks Konrad!  I’m looking forward to watching it later.)


-- Tim

Re: Feedback from JRES in Dijon

[Bengt Richter]

Hi Timothy,

On +2019-12-07 11:35:02 -0500, Timothy Sample wrote:
> Hello,
> 
> Konrad Hinsen <konrad.hinsen@fastmail.net> writes:
> 
> > Hi Bengt,
> >
> >>> [1]
> >>> https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
> >>> https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
> >>>
> >>
> >> Is [1] available as a libre video download?
> >
> > No idea. I can answer most questions about the content since I am the
> > speaker, but I was not involved with recording and publishing.
> 
> I was able to play it on Guix System with VLC.  The following URL uses
> “MPEG-DASH” for streaming, and VLC understands that.
> 
>     https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd
> 
> Unfortunately, I got certificate errors, but VLC lets you temporarily
> ignore those.
> 
> HTH!
> 
> (Thanks Konrad!  I’m looking forward to watching it later.)
> 
> 
> -- Tim

Thanks Tim, but unfortunately I don't have VLC loaded (I'll look into it)
.
I have a little scriptlet that takes an executable name and
extracts urls from piped-in whatever and gives me a choice
which url to be returned to call the executable with, so I tried wget to
see if I could see what the .mpd was:

--8<---------------cut here---------------start------------->8---
Choose from the following urls to be returned:
1) https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
2) https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd
3) https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
#? 2
--2019-12-07 16:58:15--  https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd
Loaded CA certificate '/etc/ssl/certs/ca-certificates.crt'
Resolving ccwebcast.in2p3.fr (ccwebcast.in2p3.fr)... 134.158.69.183
Connecting to ccwebcast.in2p3.fr (ccwebcast.in2p3.fr)|134.158.69.183|:443... connected.
ERROR: The certificate of ?ccwebcast.in2p3.fr? is not trusted.
ERROR: The certificate of ?ccwebcast.in2p3.fr? doesn't have a known issuer.
Press any key to continue...
--8<---------------cut here---------------end--------------->8---

Then, to see if youtube-dl could handle it:

--8<---------------cut here---------------start------------->8---
Choose from the following urls to be returned:
1) https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
2) https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd
3) https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
#? 2
[generic] manifest: Requesting header
WARNING: Could not send HEAD request to https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd: <urlopen error [S
SL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: unable to get local issuer certificate (_ssl.c:1108)>
[generic] manifest: Downloading webpage
ERROR: Unable to download webpage: <urlopen error [SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: unable to get local issuer certificate (_ssl.c:110
8)> (caused by URLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: unable to get local issuer certificate (_ssl.c:
1108)')))
Press any key to continue...
--8<---------------cut here---------------end--------------->8---

I have not yet configured dnsmasq -- do you think the above is a DNSSEC problem
that would be solved by dnsmasq? (does someone have a QND quick-and-dirty how-to
for configuring dnsmasq, spelling out any gotchas -- or should RTFM suffice?)

Or do you think ccwebcast.in2p3.fr might have the same/similar subdomain issues as savannah?

I can ping both domain and subdomain though:

--8<---------------cut here---------------start------------->8---
$ ping ccwebcast.in2p3.fr
PING ccpntc08c.in2p3.fr (134.158.69.183) 56(84) bytes of data.
64 bytes from ccpntc08c.in2p3.fr (134.158.69.183): icmp_seq=1 ttl=41 time=182 ms
64 bytes from ccpntc08c.in2p3.fr (134.158.69.183): icmp_seq=2 ttl=41 time=179 ms
64 bytes from ccpntc08c.in2p3.fr (134.158.69.183): icmp_seq=3 ttl=41 time=178 ms
^C
--- ccpntc08c.in2p3.fr ping statistics ---
3 packets transmitted, 3 received, 0% packet loss, time 3606ms
rtt min/avg/max/mdev = 177.732/179.508/181.948/1.783 ms
$ ping in2p3.fr
PING in2p3.fr (134.158.69.48) 56(84) bytes of data.
64 bytes from ccwbvip13.in2p3.fr (134.158.69.48): icmp_seq=1 ttl=41 time=176 ms
64 bytes from ccwbvip13.in2p3.fr (134.158.69.48): icmp_seq=2 ttl=41 time=178 ms
^C
--- in2p3.fr ping statistics ---
2 packets transmitted, 2 received, 0% packet loss, time 1003ms
rtt min/avg/max/mdev = 176.318/176.911/177.505/0.593 ms
$
--8<---------------cut here---------------end--------------->8---

... so idk -- maybe I can bypass DNSSEC problemss with /etc/hosts ...
Will try that, just to add a data point :)

Nope, doesn't seem to change anything ;-/

--8<---------------cut here---------------start------------->8---
$ wget $(stack)
--2019-12-07 18:21:22--  https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd
Loaded CA certificate '/etc/ssl/certs/ca-certificates.crt'
Resolving ccwebcast.in2p3.fr (ccwebcast.in2p3.fr)... 134.158.69.183
Connecting to ccwebcast.in2p3.fr (ccwebcast.in2p3.fr)|134.158.69.183|:443... connected.
ERROR: The certificate of ?ccwebcast.in2p3.fr? is not trusted.
ERROR: The certificate of ?ccwebcast.in2p3.fr? doesn't have a known issuer.
$ echo wget $(stack)
wget https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd
--8<---------------cut here---------------end--------------->8---


--8<---------------cut here---------------start------------->8---
$ youtube-dl $(stack)
[generic] manifest: Requesting header
WARNING: Could not send HEAD request to https://ccwebcast.in2p3.fr/vod/_definst_/mp4:media/5c/e6/5ce6537209640/5ce6537209640.mp4/manifest.mpd: <urlopen error [S
SL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: unable to get local issuer certificate (_ssl.c:1108)>
[generic] manifest: Downloading webpage
ERROR: Unable to download webpage: <urlopen error [SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: unable to get local issuer certificate (_ssl.c:110
8)> (caused by URLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: unable to get local issuer certificate (_ssl.c:
1108)')))
--8<---------------cut here---------------end--------------->8---

Anyone see an easy explanation?

TIA
-- 
Regards,
Bengt Richter

Re: Feedback from JRES in Dijon

[Timothy Sample]

Hi Bengt,

I omitted a lot of your message, but I hope I have the easy explanation
you’re looking for.  :)

Bengt Richter <bokr@bokr.com> writes:

> On +2019-12-07 11:35:02 -0500, Timothy Sample wrote:
>> 
>> [...]
>> 
>> Unfortunately, I got certificate errors, but VLC lets you temporarily
>> ignore those.
>
> [...]
>
> Anyone see an easy explanation?

After a little more digging, it seems that the certificate sent for
“ccwebcast.in2p3.fr” is signed with an intermediate certificate from
“TERENA”.  This is in turn signed with a DigiCert root certificate.
Unfortunately it looks like “ccwebcast.in2p3.fr” doesn’t send the whole
certificate chain, and the TERENA cert is not part of our “nss-certs”
package, so tools using certs from that package (basically everything on
a normal Guix install) will be unwilling to trust “ccwebcast.in2p3.fr”.
IceCat is okay with it, but it uses its own certificates (it must know
about the TERENA cert, so it doesn’t need the whole chain).

Fortunately, for exceptional situations like this, you can tell most
tools to skip certificate validation (like I mentioned with VLC).  For
youtube-dl, you can use the “--no-check-certificate” option.  Note
however that this is rather dangerous in general, since you are telling
youtube-dl allow anyone to pretend to be anyone else!  In this case,
since it’s just a video and IceCat is okay with the certificate it’s
probably fine.  Just be careful.  :)


-- Tim

Re: Feedback from JRES in Dijon

[Bengt Richter]

Hi Tim, Konrad,

On +2019-12-07 23:11:19 -0500, Timothy Sample wrote:
> Hi Bengt,
> 
> I omitted a lot of your message, but I hope I have the easy explanation
> you’re looking for.  :)
> 
> Bengt Richter <bokr@bokr.com> writes:
> 
> > On +2019-12-07 11:35:02 -0500, Timothy Sample wrote:
> >> 
> >> [...]
> >> 
> >> Unfortunately, I got certificate errors, but VLC lets you temporarily
> >> ignore those.
> >
> > [...]
> >
> > Anyone see an easy explanation?
> 
> After a little more digging, it seems that the certificate sent for
> “ccwebcast.in2p3.fr” is signed with an intermediate certificate from
> “TERENA”.  This is in turn signed with a DigiCert root certificate.
> Unfortunately it looks like “ccwebcast.in2p3.fr” doesn’t send the whole
> certificate chain, and the TERENA cert is not part of our “nss-certs”
> package, so tools using certs from that package (basically everything on
> a normal Guix install) will be unwilling to trust “ccwebcast.in2p3.fr”.
> IceCat is okay with it, but it uses its own certificates (it must know
> about the TERENA cert, so it doesn’t need the whole chain).
> 
> Fortunately, for exceptional situations like this, you can tell most
> tools to skip certificate validation (like I mentioned with VLC).  For
> youtube-dl, you can use the “--no-check-certificate” option.  Note
> however that this is rather dangerous in general, since you are telling
> youtube-dl allow anyone to pretend to be anyone else!  In this case,
> since it’s just a video and IceCat is okay with the certificate it’s
> probably fine.  Just be careful.  :)
> 
> 
> -- Tim

Thank you very much for digging and providing the dangerous solution :)
(I suppressed my paranoia this once, and it did work BTW :)

BTW2, I have icecat installed, so I wonder if, given that it "uses its own certificates"
(and knows about TEREMA) is there a cert-PATH that could be extended so other
apps see icecat's cert info in addition to their own?

BTW3, Konrad,
That was a nice presentation -- are the tools you used to prepare it and present it
available as libre packages? (I'm not insisting you answer ;-)

-- 
Regards,
Bengt Richter

Re: Feedback from JRES in Dijon

[Konrad Hinsen]

Hi Bengt,

> BTW3, Konrad,
> That was a nice presentation -- are the tools you used to prepare it and present it
> available as libre packages? (I'm not insisting you answer ;-)

That's LaTeX with the Beamer package, plus Inkscape for the graphics.
It's all in Guix.

A bit of history: for many years I used Apple's Keynote software for my
presentations. Until I discovered one day that I couldn't open my old
presentations any more. Apple had changed the format a few times, and
then quietly dropped support for the older formats. And the older
software versions that could read the old presentations were no longer
available.

So now it's LibreOffice for short quick-and-dirty slide hacking, and
LaTeX with Beamer for everything else.

Cheers,
  Konrad.

Re: Feedback from JRES in Dijon

[Konrad Hinsen]

Hi Simon,

> If I might, one the best presentation [1] -- that I am aware of -- on
> this. Sorry in French.

Thanks for the marketing :-)

> [1] https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
> https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
>
> Maybe we could convert it to an entry for the HPC blog. What do you think?

I am working on an article (ultimately for "Computing in Science and
Engineering") that takes up some of those subjects and illustrates them
using Guix. It would be nice to get feedback from the Guix community
early, to make sure I don't do something stupid. So I could do a first
version for the Guix blog, and thus propose it here for review,
and then make it a bit less technical for a wider audience.

Cheers,
  Konrad.

Re: Feedback from JRES in Dijon

[Ludovic Courtès]

Hi Konrad,

Konrad Hinsen <konrad.hinsen@fastmail.net> skribis:

>> If I might, one the best presentation [1] -- that I am aware of -- on
>> this. Sorry in French.
>
> Thanks for the marketing :-)
>
>> [1] https://webcast.in2p3.fr/video/les-enjeux-et-defis-de-la-recherche-reproductible
>> https://aramis.resinfo.org/wiki/lib/exe/fetch.php?media=pleniaires:aramis_keynote_enjeux-et-defis-recherche-reproductible_konrad_hinsen.pdf
>>
>> Maybe we could convert it to an entry for the HPC blog. What do you think?
>
> I am working on an article (ultimately for "Computing in Science and
> Engineering") that takes up some of those subjects and illustrates them
> using Guix. It would be nice to get feedback from the Guix community
> early, to make sure I don't do something stupid. So I could do a first
> version for the Guix blog, and thus propose it here for review,
> and then make it a bit less technical for a wider audience.

That would be great!  Also, a “how to do reproducible science with Guix”
hands-on would be nice (we could also have a section in the cookbook.)

Thanks,
Ludo’.

Re: Feedback from JRES in Dijon

[Konrad Hinsen]

Hi Ludo,

>> I am working on an article (ultimately for "Computing in Science and
>> Engineering") that takes up some of those subjects and illustrates them
>> using Guix. It would be nice to get feedback from the Guix community
>> early, to make sure I don't do something stupid. So I could do a first
>> version for the Guix blog, and thus propose it here for review,
>> and then make it a bit less technical for a wider audience.
>
> That would be great!  Also, a “how to do reproducible science with Guix”
> hands-on would be nice (we could also have a section in the cookbook.)

Since I am working for something quite similar for the Reproducible
Research MOOC, I can also make a variant for the cookbook. I just need
to find the time to make progress on all that!

Cheers,
  Konrad.

Proposal for a blog contribution on reproducible computations

[Konrad Hinsen]

Hi Guix,

about a month ago, I proposed:

> I am working on an article (ultimately for "Computing in Science and
> Engineering") that takes up some of those subjects and illustrates them
> using Guix. It would be nice to get feedback from the Guix community
> early, to make sure I don't do something stupid. So I could do a first
> version for the Guix blog, and thus propose it here for review,
> and then make it a bit less technical for a wider audience.

Here is a first complete draft:

  https://github.com/khinsen/reproducibility-with-guix/blob/master/reproducibility-with-guix.org

Feedback welcome, be it by mail or as issues on GitHub.

Also, what is the procedure for submitting blog posts? What are the
right formats for text and graphics?

Cheers,
  Konrad.

Re: Proposal for a blog contribution on reproducible computations

[zimoun]

Hi Konrad,

Thank you! It is very interesting!!

Below questions.
And suggestions which I can Pull-Request with Github. :-)

Hope it is readable: indented text is your text; non-indented one is question.


Cheers,
simon

--


     #+TITLE: Reproducible computations with Guix
     #+STARTUP: inlineimages

     * Dependencies: what it takes to run a program


Move this section title below.


     This  post is  about reproducible  computations, so  let's start  with a
     computation.  A short, though rather  uninteresting, C program is a good
     starting point. It computes π in three different ways:
     #+begin_src c :tangle pi.c :eval no
     #include <math.h>
     #include <stdio.h>

     int main()
     {
         printf( "M_PI                         : %.10lf\n", M_PI);
         printf( "4 * atan(1.)                 : %.10lf\n", 4.*atan(1.));
         printf( "Leibniz' formula (four terms): %.10lf\n",
4.*(1.-1./3.+1./5.-1./7.));
         return 0;
     }
     #+end_src


Align ':' for easier looking.


     This program uses  no random element, such as a  random number generator
     or parallelism.  It's strictly deterministic. It is reasonable to expect
     it to produce exactly the same output,  on any computer and at any point
     in time.   And yet,  many programs whose  results /should/  be perfectly
     reproducible are in fact not.  Programs using floating-point arithmetic,
     such  as  this  short  example,  are  particularly  prone  to  seemingly
     inexplicable variations.

     My  goal is  to  explain why  deterministic programs  often  fail to  be
     reproducible, and  what it takes to  fix this. The short  answer to that
     question is "use Guix", but  even though Guix provides excellent support
     for  reproducibility, you  still  have  to use  it  correctly, and  that
     requires some understanding of what's  going on.  The explanation I will
     give is rather  detailed, to the point of discussing  parts of the Guile
     API of Guix. You should be  able to follow the reasoning without knowing
     Guile though, you will  just have to believe me that  the scripts I will
     show  do what  I  claim  they do.  And  in the  end,  I  will provide  a
     ready-to-run Guile script that will let you explore package dependencies
     right from the shell.


* Dependencies: what it takes to run a program


     One keyword in discussions of reproducibility is "dependencies".  I will
     revisit the exact meaning of this term later, but to get started, I will
     define it loosely  as "any software package required to  run a program".
     Running the π  computation shown above is normally  done using something
     like
     #+begin_src sh :exports code :eval no
     gcc pi.c -o pi && ./pi
     #+end_src


Missing '&&'. It does not work without on my machine.


     C programmers  know that =gcc=  is a C  compiler, so that's  one obvious
     dependency for running  our little program. But is a  C compiler enough?
     That  question is  surprisingly difficult  to answer  in practice.  Your
     computer is loaded with tons of  software (otherwise it wouldn't be very
     useful), and you  don't really know what happens behind  the scenes when
     you run =gcc= or =pi=.


** Container is good


     A major element of reproducibility support in Guix is the possibility to
     run  programs  in well-defined  environments  that  contain exactly  the
     software packages you request, and no  more.  So if your program runs in
     an environment that contains  only a C compiler, you can  be sure it has
     no other dependencies. Let's create such an environment:
     #+begin_src sh :session C-compiler :results output :exports both
     guix environment --container --ad-hoc gcc-toolchain
     #+end_src


     #+RESULTS:

     The option  =--container= ensures the  best possible isolation  from the
     standard  environment that  your  system installation  and user  account
     provide for day-to-day  work. This environment contains nothing  but a C
     compiler  and a  shell (which  you need  to type  in commands),  and has
     access to no other files than those in the current directory.

     Side  note: the  option =--container=  requires support  from the  Linux
     kernel that is not available on all systems. If it doesn't work for you,
     use =--pure= instead. It provides a less isolated environment, but it is
     usually more than good enough.


By default, I get:

--8<---------------cut here---------------start------------->8---
guix environment: error: cannot create container: unprivileged user
cannot create user namespaces
guix environment: error: please set
/proc/sys/kernel/unprivileged_userns_clone to "1"
--8<---------------cut here---------------end--------------->8---


Or a sentence explaining what to do. For example, "The =--container= option
requires allowing the kernel to clone for the unprivileged user, i.e., as
=root= just run the command
=echo 1 > /proc/sys/kernel/unprivileged_userns_clone=."


     The above  command leaves me in  a shell inside my  environment, where I
     can now compile and run my little program:
     #+begin_src sh :session C-compiler :results output :exports both
     gcc pi.c -o pi && ./pi
     #+end_src


Missing again '&&'. Sorry if it is me.


     #+RESULTS:
     : M_PI                         : 3.14159265358979311600
     : 4 * atan(1.)                 : 3.14159265358979311600
     : Leibniz' formula (four terms): 2.89523809523809561028

     It works! So now I can be  sure that my program has a single dependency:
     the Guix  package =gcc-toolchain=.   Perfectionists who want  to exclude
     the possibility that my program requires  a shell could run each step in
     a separate container:
     #+begin_src sh :results output :exports both
     guix environment --container --ad-hoc gcc-toolchain -- gcc pi.c -o pi
     guix environment --container --ad-hoc gcc-toolchain -- ./pi
     #+end_src

     #+RESULTS:
     : M_PI                         : 3.14159265358979311600
     : 4 * atan(1.)                 : 3.14159265358979311600
     : Leibniz' formula (four terms): 2.89523809523809561028


** Let open the dependencies hell


     Now that we know that our only dependency is =gcc-toolchain=, let's look
     at it in more detail:

     #+begin_src sh :results output :exports both
     guix show gcc-toolchain
     #+end_src

     #+RESULTS:
     #+begin_example
     name: gcc-toolchain
     version: 9.2.0
     outputs: out debug static
     systems: x86_64-linux i686-linux
     dependencies: binutils@2.32 gcc@9.2.0 glibc@2.29 ld-wrapper@0
     location: gnu/packages/commencement.scm:2532:4
     homepage: https://gcc.gnu.org/
     license: GPL 3+
     synopsis: Complete GCC tool chain for C/C++ development
     description: This package provides a complete GCC tool chain for C/C++
     + development to be installed in user profiles.  This includes
GCC, as well as
     + libc (headers an d binaries, plus debugging symbols in the
`debug' output),
     + and Binutils.

     name: gcc-toolchain
     version: 8.3.0
     outputs: out debug static
     systems: x86_64-linux i686-linux
     dependencies: binutils@2.32 gcc@8.3.0 glibc@2.29 ld-wrapper@0
     location: gnu/packages/commencement.scm:2532:4
     homepage: https://gcc.gnu.org/
     license: GPL 3+
     synopsis: Complete GCC tool chain for C/C++ development
     description: This package provides a complete GCC tool chain for C/C++
     + development to be installed in user profiles.  This includes
GCC, as well as
     + libc (headers an d binaries, plus debugging symbols in the
`debug' output),
     + and Binutils.

[...]
     #+end_example

     Guix actually knows about several  versions of this toolchain. We didn't
     ask for a  specific one, so what we  got is the first one  in this list,
     which is the one with the  highest version number. Let's check that this
     is true:
     #+begin_src sh :results output :exports both
     guix environment --container --ad-hoc gcc-toolchain -- gcc --version
     #+end_src

     #+RESULTS:
     : gcc (GCC) 9.2.0
     : Copyright (C) 2019 Free Software Foundation, Inc.
     : This is free software; see the source for copying conditions.
There is NO
     : warranty; not even for MERCHANTABILITY or FITNESS FOR A
PAR1TICULAR PURPOSE.
     :

     The output of =guix show= contains  a line about dependencies. These are
     the dependencies  of our  dependency, and you  may already  have guessed
     that they will have dependencies as well.  That's why reproducibility is
     such   a    difficult   job    in   practice!   The    dependencies   of
     =gcc-toolchain@9.2.0= are:


Let use =recsel= and teach also how to filter the package output. :-)

#+begin_src sh :results output :exports both
guix show gcc-toolchain@9.2.0 | recsel -P dependencies
#+end_src

#+RESULTS:
: binutils@2.32 gcc@9.2.0 glibc@2.29 ld-wrapper@0


     #+begin_example
     binutils@2.32 gcc@9.2.0 glibc@2.29 ld-wrapper@0
     #+end_example

     To dig deeper, we can try feeding these dependencies to =guix show=, one
     by one, in order to learn more about them:
     #+begin_src sh :results output :exports both
     guix show binutils@2.32
     #+end_src

     #+RESULTS:
     #+begin_example
     name: binutils
     version: 2.32
     outputs: out
     systems: x86_64-linux i686-linux
     dependencies:
     location: gnu/packages/base.scm:415:2
     homepage: https://www.gnu.org/software/binutils/
     license: GPL 3+
     synopsis: Binary utilities: bfd gas gprof ld
     description: GNU Binutils is a collection of tools for working with binary
     + files.  Perhaps the most notable are "ld", a linker, and "as",
an assembler.
     + Other tools include programs to display binary profiling
information, list the
     + strings in a binary file, and utilities for working with
archives.  The "bfd"
     + library for working with executable and object formats is also included.

     #+end_example

     #+begin_src sh :results output :exports both
     exec 2>&1 guix show gcc@9.2.0 :
     #+end_src

     #+RESULTS:
     : guix show: error: gcc@9.2.0: package not found

     This looks  a bit  surprising. What's  happening here  is that  =gcc= is
     defined as a /hidden  package/ in Guix. The package is  there, but it is
     hidden from package queries.  There is  a good reason for this: =gcc= on
     its own is rather useless, you  need =gcc-toolchain= to actually use the
     compiler. But if  both =gcc= and =gcc-toolchain= showed up  in a search,
     that would  be more confusing  than helpful  for most users.  Hiding the
     package is a way of saying "for experts only".

     Let's take this as a sign that it's time to move on to the next level of
     Guix hacking:  Guile scripts.   Guile, an  implementation of  the Scheme
     language,  is Guix'  native language,  so using  Guile scripts,  you get
     access to everything there is to know about Guix and its packages.

     A note in passing: the
[[https://emacs-guix.gitlab.io/website/][emacs-guix]] package provides
an intermediate level
     of  Guix  exploration for  Emacs  users.  It  lets  you look  at  hidden
     packages, for  example. But much  of what I  will show in  the following
     really requires Guile scripts.

     * Anatomy of a Guix package

     From the user's point  of view, a package is a piece  of software with a
     name and  a version number that  can be installed using  =guix install=.
     The packager's  point of view is  quite a bit different.   In fact, what
     users consider a package is more precisely called the package's /output/
     in Guix jargon. The package is a recipe for creating this output.

     To see how all these concepts fit  together, let's look at an example of
     a package definition: =xmag=.  I have  chosen this package not because I
     care much about it, but because its definition is short while showcasing
     all the  features I want  to explain. You can  access it most  easily by
     typing =guix edit xmag=. Here is what you will see:
     #+begin_src scheme :eval no
     (package
       (name "xmag")
       (version "1.0.6")
       (source
        (origin
          (method url-fetch)
          (uri (string-append
                "mirror://xorg/individual/app/" name "-" version ".tar.gz"))
          (sha256
           (base32
            "19bsg5ykal458d52v0rvdx49v54vwxwqg8q36fdcsv9p2j8yri87"))))
       (build-system gnu-build-system)
       (arguments
        `(#:configure-flags
          (list (string-append "--with-appdefaultdir="
                               %output ,%app-defaults-dir))))
       (inputs
        `(("libxaw" ,libxaw)))
       (native-inputs
        `(("pkg-config" ,pkg-config)))
       (home-page "https://www.x.org/wiki/")
       (synopsis "Display or capture a magnified part of a X11 screen")
       (description "Xmag displays and captures a magnified snapshot
of a portion
     of an X11 screen.")
       (license license:x11))
     #+end_src


After, a package (=glibc=) is used to show that the same package can produce
different outputs and this above example does not own the =outputs= fields.


     The package definition starts with  the name and version information you
     expected. Next comes =source=, which says  how to obtain the source code
     and  from where.  It  also provides  a  hash that  allows  to check  the
     integrity of the downloaded files.  The next four items, =build-system=,
     =arguments=,  =inputs=,  and   =native-inputs=  supply  the  information
     required for /building/ the package,  which is what creates its outputs.
     The remaining  items are documentation for  human consumption, important
     for other reasons  but not for reproducibility, so I  won't say any more
     about them.


Link to the documentation and/or the cookbook entry about Packaging.

http://guix.gnu.org/manual/devel/en/html_node/Defining-Packages.html#Defining-Packages
http://guix.gnu.org/cookbook/en/html_node/Packaging.html#Packaging


     The  example  package  definition  has =native-inputs=  in  addition  to
     "plain"  =inputs=. There's  a  third  variant, =propagated-inputs=,  but
     =xmag= doesn't  have any. The  differences between these  variants don't
     matter  for  my  topic, so  I  will  just  refer  to "inputs"  from  now
     on. Another  omission I will make  is the possibility to  define several
     outputs for a  package.  This is done for particularly  big packages, in
     order to reduce the footprint of  installations, but for the purposes of
     reproducibility, it's  OK to  treat all  outputs of  a package  a single
     unit.

     The following figure  illustrates how the various  pieces of information
     from a package  are used in the build process  (done explicitly by =guix
     build=, or  implicitly when  installing or  otherwise using  a package):

     [[file:guix-package.svg]]

     It  may  help to  translate  the  Guix jargon  to  the  vocabulary of  C
     programming:
     | Guix package | C program        |
     |--------------+------------------|
     | source code  | source code      |
     | inputs       | libraries        |
     | arguments    | compiler options |
     | build system | compiler         |
     | output       | executable       |

     Building a  package can  be considered a  generalization of  compiling a
     program. We  could in  fact create  a "GCC build  system" for  Guix that
     would simply run =gcc=. However, such  a build system would be of little
     practical use, since most real-life  software consists of more than just
     one C source code file,  and requires additional pre- or post-processing
     steps.  The  =gnu-build-system= used  in the example  is based  on tools
     such as =make= and =autoconf=, in addition to =gcc=.


     * Package exploration in Guile

     Guile uses a record type called =<package>= to represent packages, which
     is

[[https://git.savannah.gnu.org/cgit/guix.git/tree/guix/packages.scm#n249][=<package>=]]
(hyperlink). Let spread Scheme. :-)

Is the syntax highlighting available for Savannah?

     defined  in module  =(guix packages)=.   There  is also  a module  =(gnu
     packages)=, which contains  the actual package definitions  - be careful
     not

[[https://git.savannah.gnu.org/cgit/guix.git/tree/gnu/packages][=(gnu
packages)=]] (hyperlink).

     to confuse the two (as I always  do). Here is a simple Guile script that
     shows some package information, much like the =guix show= command that I
     used earlier:
     #+begin_src scheme :results output
     (use-modules (guix packages)
                  (gnu packages))

     (define gcc-toolchain
       (specification->package "gcc-toolchain"))

     (format #t "Name   : ~a\n" (package-name gcc-toolchain))
     (format #t "Version: ~a\n" (package-version gcc-toolchain))
     (format #t "Inputs : ~a\n" (package-direct-inputs gcc-toolchain))
     #+end_src

     #+RESULTS:
     : Name   : gcc-toolchain
     : Version: 8.3.0
     : Inputs : ((gcc #<package gcc@8.3.0 gnu/packages/gcc.scm:509
3b969a0>) (ld-wrapper #<package ld-wrapper@0 gnu/packages/base.scm:551
43e6bb0>) (binutils #<package binutils@2.31.1
gnu/packages/bootstrap.scm:150 43df6e0>) (libc #<package glibc@2.28
gnu/packages/commencement.scm:681 43df8f0>) (libc-debug #<package
glibc@2.28 gnu/packages/commencement.scm:681 43df8f0> debug)
(libc-static #<package glibc@2.28 gnu/packages/commencement.scm:681
43df8f0> static))


I would add something about =guix repl=. For example, "You can launch an
interactive REPL with =guix repl= and type directly these lines inside."

Adding also a footnote saying to add
#+begin_src scheme
(use-modules
 (ice-9 readline)
 (ice-9 format)
 (ice-9 pretty-print))
(activate-readline)
#+end_src
in =~/.guile= to ease the REPL experience.


     This script first calls =specification->package=  to look up the package
     using the  same rules  as the  =guix= command  line interface:  pick the
     latest  available  version if  none  is  explicitly requested.  Then  it
     extracts   various   information   about   the   package.    Note   that
     =package-direct-inputs=  returns  the combination  of  =package-inputs=,
     =package-native-inputs=,  and  =package-propagated-inputs=.  As  I  said
     above, I don't care about the distinction here.

     The inputs are not shown in a particularly nice form, so let's write two
     Guile functions to improve it:
     #+begin_src scheme :results output
     (use-modules (guix packages)
                  (gnu packages)
                  (ice-9 match))

     (define (package->specification package)
       (format #f "~a@~a"
               (package-name package)
               (package-version package)))

     (define (input->specification input)
       (match input
         ((label (? package? package) . _)
          (package->specification package))
         (other-item
          (format #f "~a" other-item))))

     (define gcc-toolchain
       (specification->package "gcc-toolchain"))

     (format #t "Package: ~a\n"
             (package->specification gcc-toolchain))
     (format #t "Inputs : ~a\n"
             (map input->specification (package-direct-inputs gcc-toolchain)))
     #+end_src

     #+RESULTS:
     : Package: gcc-toolchain@8.3.0
     : Inputs : (gcc@8.3.0 ld-wrapper@0 binutils@2.31.1 glibc@2.28
glibc@2.28 glibc@2.28)

     That looks much better.  As you can see from the code,  a list of inputs
     is a bit more than a list of  packages. It is in fact a list of labelled
     /package outputs/. That also explains why  we see =glibc= three times in
     the input list: =glibc= defines three distinct outputs, all of which are
     used in =gcc-toolchain=.

It is not clear to me why there is 3 times =glibc=. Instead, I propose this.

#+begin_src scheme :results output
(use-modules (guix packages)
             (gnu packages)
             (ice-9 match))

(define (package->specification package)
  (format #f "~a@~a"
          (package-name package)
          (package-version package)))

(define (input->specification input)
  (match input
    ((label (? package? package) . _)
     (package->specification package))
    (other-item
     (format #f "~a" other-item))))

(define gcc-toolchain
  (specification->package "gcc-toolchain"))

(format #t "Package  : ~a\n"
        (package->specification gcc-toolchain))
(format #t "Inputs   : ~a\n"
        (map input->specification (package-direct-inputs gcc-toolchain)))
(format #t "Internals: ~a\n"
        (map car (package-direct-inputs gcc-toolchain)))

(display "\n")

(define glibc
  (specification->package "glibc"))

(format #t "Name     : ~a\n"
        (package-name glibc))
(format #t "Outputs  : ~a\n"
        (package-outputs glibc))
#+end_src

#+RESULTS:
: Package  : gcc-toolchain@8.3.0
: Inputs   : (gcc@8.3.0 ld-wrapper@0 binutils@2.31.1 glibc@2.28
glibc@2.28 glibc@2.28)
: Internals: (gcc ld-wrapper binutils libc libc-debug libc-static)
:
: Name     : glibc
: Outputs  : (out debug static)

The =car= is not so nice but the =Internals= mitigates, IMHO.

The addition does not add complexity and I hope it clarifies, at least to
me. ;-)


     For reproducibility, all we care  about is the package references. Later
     on, we  will deal with  much longer input lists,  so as a  final cleanup
     step, let's show only unique package references from the list of inputs:
     #+begin_src scheme :results output
     (use-modules (guix packages)
                  (gnu packages)
                  (srfi srfi-1)
                  (ice-9 match))

     (define (package->specification package)
       (format #f "~a@~a"
               (package-name package)
               (package-version package)))

     (define (input->specification input)
       (match input
         ((label (? package? package) . _)
          (package->specification package))
         (other-item
          (format #f "~a" other-item))))

     (define (unique-inputs inputs)
       (delete-duplicates
        (map input->specification inputs)))

     (define gcc-toolchain
       (specification->package "gcc-toolchain"))

     (format #t "Package: ~a\n"
             (package->specification gcc-toolchain))
     (format #t "Inputs : ~a\n"
             (unique-inputs (package-direct-inputs gcc-toolchain)))
     #+end_src

     #+RESULTS:
     : Package: gcc-toolchain@8.3.0
     : Inputs : (gcc@8.3.0 ld-wrapper@0 binutils@2.31.1 glibc@2.28)

     * Dependencies

     You may have noticed the absence  of the term "dependency" from the last
     two sections.  There is  a good  reason for  that: the  term is  used in
     somewhat different meanings, and that  can create confusion. Guix jargon
     therefore avoids it.

     The figure above shows three kinds of input to the build system: source,
     inputs, and arguments. These categories  reflect the packagers' point of
     view: =source= is what the authors  of the software supply, =inputs= are
     other packages, and =arguments= is  what the packagers themselves add to
     the build  procedure. It is important  to understand that from  a purely
     technical point of view, there  is no fundamental difference between the
     three categories. You could, for example, define a package that contains
     C  source code  in the  build  system =arguments=,  but leaves  =source=
     empty. This would be inconvenient, and  confusing for others, so I don't
     recommend you actually do this.  The three categories are important, but
     for humans,  not for computers.  In  fact, even the build  system is not
     fundamentally   distinct  from   its   inputs.   You   could  define   a
     special-purpose build  system for  one package, and  put all  the source
     code in  there. At  the level of  the CPU and  the computer's  memory, a
     build   process   (as   in    fact   /any/   computation)   looks   like

     [[file:computation.png]]

     It is human interpretation that decomposes this into

     [[file:data-code.png]]

     and in a next step into

     [[file:data-program-environment.png]]

     We  can  go  on  and  divide  the  environment  into  operating  system,
     development  tools,  and  application  software, for  example,  but  the
     further  we go  in  decomposing the  input to  a  computation, the  more
     arbitrary it gets.

     From this point of view, a software's dependencies consist of everything
     required to run it  in addition to its source code.  For a Guix package,
     the dependencies are thus,


Adding ',' after 'thus'.


     - its inputs
     - the build system arguments
     - the build system itself
     - Guix (commit)
     - the GNU/Linux operating system (kernel).


Adding (commit) and (kernel).


     In  the following,  I will  not  mention the  last two  items any  more,
     because they  are a  common dependency  of all  Guix packages,  but it's
     important not to forget about them. A change in Guix or in GNU/Linux can
     actually make a computation  non-reproducible, although in practice that
     happens very rarely.   Moreover, Guix is actually designed  to run older
     versions of itself, as we will see later.


Hum? the assumption is the "GNU/Linux operating system" on which Guix
(package manager) is running does not change the reproducibility of the
computations. Right?

In practise, the results should be the same using the same Guix (commit) on
different GNU/Linux operating systems and from my understanding we are
missing data (experience) to report if it happens or not.

However, a change in Guix can lead to completely different packages, so
non-reproducible computations. And in practise it happens often, e.g., see how
many grafts Guix is doing. :-)

Well, I am not sure if I understand correctly the meaning of this paragraph.


     * Build systems are packages as well

     I hope that by  now you have a good idea of what  a package is: a recipe
     for  building outputs  from source  and  inputs, with  inputs being  the
     outputs  of other  packages.  The  recipe involves  a  build system  and
     arguments supplied to it.  So... what  exactly is a build system? I have
     introduced it  as a  generalization of a  compiler, which  describes its
     role. But where does a build system come from in Guix?

     The ultimate  answer is  of course  the
     [[https://git.savannah.gnu.org/cgit/guix.git/tree/guix/build-system][sourcecode]].
     Build  systems are
     pieces of Guile code that are part of Guix.  But this Guile code is only
     a shallow  layer orchestrating  invocations of  other software,  such as
     =gcc= or  =make=. And that  software is defined  by packages. So  in the
     end, from  a reproducibility point  of view,  we can replace  the "build
     system" item  in our list of  dependenies by "a bundle  of packages". In
     other words: more inputs.

     Before  Guix can  build  a  package, it  must  gather  all the  required
     ingredients,  and  that  includes  replacing the  build  system  by  the
     packages it  represents. The resulting  list of ingredients is  called a
     =bag=, and we can access it using a Guile script:

     #+begin_src scheme :results output
     (use-modules (guix packages)
                  (gnu packages)
                  (srfi srfi-1)
                  (ice-9 match))

     (define (package->specification package)
       (format #f "~a@~a"
               (package-name package)
               (package-version package)))

     (define (input->specification input)
       (match input
         ((label (? package? package) . _)
          (package->specification package))
         ((label (? origin? origin))
          (format #f "[source code from ~a]"
                  (origin-uri origin)))
         (other-input
          (format #f "~a" other-input))))

     (define (unique-inputs inputs)
       (delete-duplicates
        (map input->specification inputs)))

     (define hello
       (specification->package "hello"))

     (format #t "Package       : ~a\n"
             (package->specification hello))
     (format #t "Package inputs: ~a\n"
             (unique-inputs (package-direct-inputs hello)))
     (format #t "Build inputs  : ~a\n"
             (unique-inputs
              (bag-direct-inputs
               (package->bag hello))))
     #+end_src

     #+RESULTS:
     : Package       : hello@2.10
     : Package inputs: ()
     : Build inputs  : ([source code from
mirror://gnu/hello/hello-2.10.tar.gz] tar@1.30 gzip@1.9 bzip2@1.0.6
xz@5.2.4 file@5.33 diffutils@3.6 patch@2.7.6 findutils@4.6.0
gawk@4.2.1 sed@4.5 grep@3.1 coreutils@8.30 make@4.2.1
bash-minimal@4.4.23 ld-wrapper@0 binutils@2.31.1 gcc@5.5.0 glibc@2.28
glibc-utf8-locales@2.28)

     I have used  a different example, =hello=,


[[https://git.savannah.gnu.org/cgit/guix.git/tree/gnu/packages/base.scm#n72][=hello=]]
(link to package definition)


     because for =gcc-toolchain=,
     there is  no difference between  package inputs and build  inputs (check
     for  yourself if  you  want!)  My  new example,  =hello=  (a short  demo


[[https://hpc.guix.info/package/hello][=hello=]] (link to browser)


     program  printing  "Hello,   world"  in  the  language   of  the  system
     installation), is interesting  because it has no package  inputs at all.
     All  the  build  inputs  except  for the  source  code  have  thus  been
     contributed by the build system.

     If you  compare this script  to the previous  one that printed  only the
     package  inputs,   you  will   notice  two   major  new   features.   In
     =input->specification=, there is an additional  case for the source code
     reference. And  in the last  statement, =package->bag= constructs  a bag
     from the package, before =bag-direct-inputs= is called to get that bag's
     input list.

     * Inputs are outputs

     I have  mentioned before that  one package's inputs are  other packages'
     outputs, but  that fact deserves  a more in-depth discussion  because of
     its crucial  importance for reproducibility.  A package is a  recipe for
     building outputs from source and inputs. Since these inputs are outputs,
     they  must have  been built  as well.  Package building  is therefore  a
     process consisting of  multiple steps. An immediate  consequence is that
     any  computation  making  use  of  packaged  software  is  a  multi-step
     computation as well.

     Remember the  short C  program computing  π from  the beginning  of this
     post?  Running that  program is only the  last step in a  long series of
     computations.  Before you  can run =pi=, you must  compile =pi.c=.  That
     requires the  package =gcc-toolchain=,  which must  first be  built. And
     before it can  be built, its inputs  must be built.  And so  on.  If you
     want  the  output of  =pi=  to  be  reproducible,  *the whole  chain  of
     computations must be reproducible*, because each step can have an impact
     on the results produced by =pi=.

     So... where does this chain start?   Few people write machine code these
     days, so almost all software  requires some compiler or interpreter. And
     that means that for every package, there are other packages that must be
     built first. The question  of how to get this chain  started is known as
     the bootstrapping problem.  A rough summary  of the solution is that the
     chain  starts on  somebody else's  computer, which  creates a  bootstrap
     seed, an ideally  small package that is downloaded  in precompiled form.
     See [[https://guix.gnu.org/blog/2019/guix-reduces-bootstrap-seed-by-50/][this
post  by Jan Nieuwenhuizen]] for details of  this procedure.  The
     bootstrap seed is not the real start of the chain, but as long as we can
     retrieve  an identical  copy at  a later  time, that's  good enough  for
     reproducibility. In fact, the reason for requiring the bootstrap seed to
     be  small  is not  reproducibility,  but  inspectability: it  should  be
     possible to audit the seed for bugs  and malware, even in the absence of
     source code.


** Closure of bag

     Now we are  finally ready for the ultimate step  in dependency analysis:
     identifying all packages on which a computation depends, right up to the
     bootstrap seed. The  starting point is the list of  direct inputs of the
     bag  derived  from  a  package,  which we  looked  at  in  the  previous
     script.  For  each  package  in  that list,  we  must  apply  this  same
     procedure,  recursively. We  don't have  to write  this code  ourselves,
     because the  function =package-closure=  in Guix does  that job.  If you
     have a basic  knowledge of Scheme, you should be  able to understand its
     [[https://git.savannah.gnu.org/cgit/guix.git/tree/guix/packages.scm#n817][implementation]]
now. Let's add it to our dependency analysis code:

     #+begin_src scheme :results output
     (use-modules (guix packages)
                  (gnu packages)
                  (srfi srfi-1)
                  (ice-9 match))

     (define (package->specification package)
       (format #f "~a@~a"
               (package-name package)
               (package-version package)))

     (define (input->specification input)
       (match input
         ((label (? package? package) . _)
          (package->specification package))
         ((label (? origin? origin))
          (format #f "[source code from ~a]"
                  (origin-uri origin)))
         (other-input
          (format #f "~a" other-input))))

     (define (unique-inputs inputs)
       (delete-duplicates
        (map input->specification inputs)))

     (define (length-and-list lists)
       (list (length lists) lists))

     (define hello
       (specification->package "hello"))

     (format #t "Package        : ~a\n"
             (package->specification hello))
     (format #t "Package inputs : ~a\n"
             (length-and-list (unique-inputs (package-direct-inputs hello))))
     (format #t "Build inputs   : ~a\n"
             (length-and-list
              (unique-inputs
               (bag-direct-inputs
                (package->bag hello)))))
     (format #t "Package closure: ~a\n"
             (length-and-list
              (delete-duplicates
               (map package->specification
                    (package-closure (list hello))))))
     #+end_src

     #+RESULTS:
     : Package        : hello@2.10
     : Package inputs : (0 ())
     : Build inputs   : (20 ([source code from
mirror://gnu/hello/hello-2.10.tar.gz] tar@1.30 gzip@1.9 bzip2@1.0.6
xz@5.2.4 file@5.33 diffutils@3.6 patch@2.7.6 findutils@4.6.0
gawk@4.2.1 sed@4.5 grep@3.1 coreutils@8.30 make@4.2.1
bash-minimal@4.4.23 ld-wrapper@0 binutils@2.31.1 gcc@5.5.0 glibc@2.28
glibc-utf8-locales@2.28))
     : Package closure: (62 (gzip@1.9 libstdc++-boot0@4.9.4
gcc-cross-boot0@5.5.0 m4@1.4.18 linux-libre-headers@4.14.67
gettext-boot0@0.19.8.1 bison@3.0.5 guile-bootstrap@2.0
glibc-intermediate@2.28 gcc-cross-boot0-wrapped@5.5.0
perl-boot0@5.28.0 bootstrap-binaries@0 file-boot0@5.33
findutils-boot0@4.6.0 diffutils-boot0@3.6 make-boot0@4.2.1
binutils-cross-boot0@2.31.1 ld-wrapper-boot0@0 zlib@1.2.11
libstdc++@5.5.0 ld-wrapper-boot3@0 bash-static@4.4.23 texinfo@6.5
libatomic-ops@7.6.6 pkg-config@0.29.2 gmp@6.1.2 libgc@7.6.6
libltdl@2.4.6 libunistring@0.9.10 libffi@3.2.1 guile@2.2.4 expat@2.2.6
perl@5.28.0 gettext-minimal@0.19.8.1 attr@2.4.47 libcap@2.25
acl@2.2.52 binutils-bootstrap@0 gcc-bootstrap@0 glibc-bootstrap@0
libsigsegv@2.12 lzip@1.20 ed@1.14.2 binutils@2.31.1 glibc@2.28
gcc@5.5.0 bash-minimal@4.4.23 glibc-utf8-locales@2.28 grep@3.1
coreutils@8.30 ld-wrapper@0 make@4.2.1 sed@4.5 gawk@4.2.1
findutils@4.6.0 patch@2.7.6 diffutils@3.6 file@5.33 xz@5.2.4
bzip2@1.0.6 tar@1.30 hello@2.10))


     That's 84 packages,  just for printing "Hello, world!".  As promised, it


How do you obtain this 84 packages?


     includes the boostrap seed, called =bootstrap-binaries=.  It may be more
     surprising to see  Perl and Python in  the dependency list of  what is a
     pure C program.  The explanation is that the build  process of =gcc= and
     =glibc= contains  Perl and Python  code. Considering that both  Perl and
     Python are written in C and use =glibc=, this hints at why bootstrapping
     is a hard problem!


** Ready to analyse yourself


     As promised, here is  a [[file:show-dependencies.scm][Guile
script]] that you can  download and run from
     the command  line to do  dependency analyses much  like the ones  I have
     shown. Just  give the packages  whose combined list of  dependencies you
     want to analyze. For example:
     #+begin_src sh :results output :exports both
     ./show-dependencies.scm hello
     #+end_src

     #+RESULTS:
     : Packages: 1
     :   hello@2.10
     : Package inputs: 0 packages
     :
     : Build inputs: 20 packages
     :   [source code from mirror://gnu/hello/hello-2.10.tar.gz]
bash-minimal@5.0.7 binutils@2.32 bzip2@1.0.6 coreutils@8.31
diffutils@3.7 file@5.33 findutils@4.6.0 gawk@5.0.1 gcc@7.4.0
glibc-utf8-locales@2.29 glibc@2.29 grep@3.3 gzip@1.10 ld-wrapper@0
make@4.2.1 patch@2.7.6 sed@4.7 tar@1.32 xz@5.2.4
     : Package closure: 84 packages
     :   acl@2.2.53 attr@2.4.48 bash-minimal@5.0.7 bash-static@5.0.7
binutils-cross-boot0@2.32 binutils-mesboot0@2.20.1a
binutils-mesboot@2.20.1a binutils@2.32 bison@3.4.1
bootstrap-binaries@0 bootstrap-mes@0 bootstrap-mescc-tools@0.5.2
bzip2@1.0.6 coreutils@8.31 diffutils-boot0@3.7 diffutils-mesboot@2.7
diffutils@3.7 ed@1.15 expat@2.2.7 file-boot0@5.33 file@5.33
findutils-boot0@4.6.0 findutils@4.6.0 flex@2.6.4 gawk@5.0.1
gcc-core-mesboot@2.95.3 gcc-cross-boot0-wrapped@7.4.0
gcc-cross-boot0@7.4.0 gcc-mesboot-wrapper@4.9.4 gcc-mesboot0@2.95.3
gcc-mesboot1-wrapper@4.7.4 gcc-mesboot1@4.7.4 gcc-mesboot@4.9.4
gcc@7.4.0 gettext-boot0@0.19.8.1 gettext-minimal@0.20.1
glibc-headers-mesboot@2.16.0 glibc-intermediate@2.29
glibc-mesboot0@2.2.5 glibc-mesboot@2.16.0 glibc-utf8-locales@2.29
glibc@2.29 gmp@6.1.2 grep@3.3 guile-bootstrap@2.0 guile@2.2.6
gzip@1.10 hello@2.10 ld-wrapper-boot0@0 ld-wrapper-boot3@0
ld-wrapper@0 libatomic-ops@7.6.10 libcap@2.27 libffi@3.2.1
libgc@7.6.12 libltdl@2.4.6 libsigsegv@2.12 libstdc++-boot0@4.9.4
libstdc++@7.4.0 libunistring@0.9.10 libxml2@2.9.9
linux-libre-headers-bootstrap@0 linux-libre-headers@4.19.56 lzip@1.21
m4@1.4.18 make-boot0@4.2.1 make-mesboot0@3.80 make-mesboot@3.82
make@4.2.1 mes-boot@0.19 mesboot-headers@0.19 ncurses@6.1-20190609
patch@2.7.6 perl-boot0@5.30.0 perl@5.30.0 pkg-config@0.29.2
python-minimal@3.5.7 sed@4.7 tar@1.32 tcc-boot0@0.9.26-6.c004e9a
tcc-boot@0.9.27 texinfo@6.6 xz@5.2.4 zlib@1.2.11

     You can now easily experiment yourself, even if you are not at ease with
     Guile. For  example, suppose you have  a small Python script  that plots
     some data using matplotlib. What  are its dependencies? First you should
     check that it runs in a minimal environment:
     #+begin_src sh :results output :exports both :eval no
     guix  environment --container --ad-hoc python python-matplotlib
-- python my-script.py
     #+end_src
     Next, find its dependencies:
     #+begin_src sh :results output :exports both :eval no
     ./show-dependencies.scm python python-matplotlib
     #+end_src
     I won't  show the output  here because it is  rather long -  the package
     closure contains 499 packages!

     * OK, but... what are the /real/ dependencies?

     I   have   explained  dependencies   along   these   lines  in   a   few
     seminars. There's one question that someone  in the audience is bound to
     ask:  What do  the results  of a  computation /really/  depend on?   The
     output of =hello= is ="Hello, world!"=, no matter which version of =gcc=
     I use to compile it, and no matter which version of =python= was used in
     building  =glibc=. The  package  closure is  a  worst-case estimate:  it
     contains everything that can /potentially/ influence the results, though
     most  of it  doesn't  in practice.  Unfortunately, there  is  no way  to
     identify the  dependencies that matter automatically,  because answering
     that question in general (i.e.  for arbitrary software) is equivalent to
     solving the
[[https://en.wikipedia.org/wiki/Halting_problem][halting problem]].

     Most  package managers,  such as  Debian's =apt=  or the  multi-platform
     =conda=, take a different point of view. They define the dependencies of
     a program as all packages that need to be loaded into memory in order to
     run it. They  thus exclude the software that is  required to /build/ the
     program  and  its run-time  dependencies,  but  can then  be  discarded.
     Whereas Guix' definition  errs on the safe side (its  dependency list is
     often  longer than  necessary but  never too  short), the  run-time-only
     definition  is  both  too  vast   and  too  restrictive.  Many  run-time
     dependencies don't  have an impact  on most programs' results,  but some
     build-time dependencies do.


From my point of view, an essential point of this "worst-case estimate" is:
time travelling. Because the closure is well-defined, it is possible to
restore the complete set of the dependencies. And it is not possible with the
other point of view, if I understand correctly.


     One   important   case   where   build-time   dependencies   matter   is
     floating-point computations. For historical reasons, they are surrounded
     by an  aura of vagueness and  imprecision, which goes back  to its early
     days,  when  many details  were  poorly  understood and  implementations
     varied a lot. Today, all computers used for scientific computing respect
     the [[https://en.wikipedia.org/wiki/IEEE_754][IEEE 754 standard]]
that  precisely defines how floating-point numbers
     are  represented  in memory  and  what  the  result of  each  arithmetic
     operation  must   be.   Floating-point  arithmetic  is   thus  perfectly
     deterministic and even perfectly portable between machines, if expressed
     in terms of the operations  defined by the standard. However, high-level
     languages such as C or Fortran do  not allow programmers to do that. Its
     designers assume (probably correctly) that  most programmers do not want
     to deal with the intricate  details of rounding.  Therefore they provide
     only a  simplified interface  to the arithmetic  operations of  IEE 754,


Missing E at IEEE.


     which incidentally also  provides more liberty for  code optimization to
     compiler writers. The net result is that the complete specification of a
     program's  results  is  its  source  code /plus  the  compiler  and  the
     compilation  options/. You  thus /can/  get reproducible  floating-point
     results if you include all compilation  steps into the perimeter of your
     computation, at least  for code running on a  single processor. Parallel
     computing  is  a different  story:  it  involves voluntarily  giving  up
     reproducibility in  exchange for  speed. Reproducibility then  becomes a
     best-effort  approach   of  limiting  the  collateral   damage  done  by
     optimization through the clever design of algorithms.


It is out of scope and I have never read the IEEE 754 standard, so I do not
know if this simple propagation of errors depends on the compiler suite
and/or the machine.

#+begin_src C
#include <stdio.h>

int main() {
    double x = 0.;

    for (int i = 1; i < 10; i++) {
        x = x + 0.1;
        printf("(%d) x=%0.20f\n", i, x);
    }
    return 0;
}
#+end_src

And I do not know neither if the standard fixes associativity rules when no
parenthesis is provided or if it is up to the compiler.

#+begin_src C
#include <stdio.h>

int main() {
    float x;
    float r1, r2, r3, r4;

    x = 1.0e21;
    r1 = x + 1 - x + 1;
    r2 = (x + 1) - (x - 1);
    r3 = x + (1 - x) + 1;
    r4 = x + (1 - (x - 1));

    printf(" x + 1  -  x + 1 =%f\n", r1);
    printf("(x + 1) - (x - 1)=%f\n", r2);
    printf(" x +(1  -  x)+ 1 =%f\n", r3);
    printf(" x +(1 -  (x+ 1))=%f\n", r4);
    return 0;
}
#+end_src


     * Reproducing a reproducible computation

     So   far,   I   have    explained   the   theory   behind   reproducible
     computations. The  take-home message is that  to be sure to  get exactly
     the same results in the future, you  have to use the exact same versions
     of all packages in the package closure of your immediate dependencies. I
     have also  shown you how you  can access that package  closure. There is
     one missing piece:  how do you actually run your  program in the future,
     using the same environment?

     The good news is that doing this  is a lot simpler than understanding my
     lengthy  explanations (which  is why  I leave  this for  the end!).  The
     complex dependency graphs that I have analyzed up to here are encoded in
     the Guix source  code, so all you need to  re-create your environment is
     the exact same version of Guix!  You get that version using
     #+begin_src sh :results output :exports both
     guix describe
     #+end_src

     #+RESULTS:
     : Generation 15    Jan 06 2020 13:30:45    (current)
     :   guix 769b96b
     :     repository URL: https://git.savannah.gnu.org/git/guix.git
     :     branch: master
     :     commit: 769b96b62e8c09b078f73adc09fb860505920f8f

     The  critical information  here is  the unpleasantly  looking string  of
     hexadecimal digits  after "commit".   This is all  it takes  to uniquely
     identify a version of Guix. And to re-use it in the future, all you need
     is Guix' time machine:

     #+begin_src sh :session reproduce-C-compiler :results output :exports both
     guix time-machine
--commit=769b96b62e8c09b078f73adc09fb860505920f8f -- environment
--ad-hoc gcc-toolchain
     #+end_src

     #+RESULTS:
     :
     : Updating channel 'guix' from Git repository at
'https://git.savannah.gnu.org/git/guix.git'...

     #+begin_src sh :session reproduce-C-compiler :results output :exports both
     gcc pi.c -o pi ./pi
     #+end_src

     #+RESULTS:
     :
     : pi = 3.1415926536
     : 4 * atan(1.): 3.1415926536
     : Leibniz' formula (four terms): 2.8952380952

     The time  machine actually downloads  the specified version of  Guix and
     passes it the rest  of the command line.  You are  running the same code
     again. Even bugs in Guix will be reproduced faithfully!

     For many practical  use cases, this technique is  sufficient.  But there
     are two variants you should know about for more complicated situations:

      - If  you need  an environment  with many  packages, you  should use  a
        manifest rather than  list the packages on the command  line.
See [[https://guix.gnu.org/manual/en/html_node/Invoking-guix-environment.html][the
        manual]] for details.

      - If you need packages from additional channels, i.e. packages that are
        not  part of  the  official  Guix distribution,  you  should store  a
        complete channel description in a file using
     #+begin_src sh :results none :exports code
     guix describe -f channels > guix-version-for-reproduction.txt
     #+end_src

     and feed that file to the time machine:
     #+begin_src sh :session reproduce-C-compiler-2 :results output
:exports both
     guix time-machine --channels=guix-version-for-reproduction.txt --
environment --ad-hoc gcc-toolchain
     #+end_src

     #+RESULTS:
     :
     : Updating channel 'guix' from Git repository at
'https://git.savannah.gnu.org/git/guix.git'...

     #+begin_src sh :session reproduce-C-compiler-2 :results output
:exports both
     gcc pi.c -o pi ./pi
     #+end_src

     #+RESULTS:
     :
     : pi = 3.1415926536
     : 4 * atan(1.): 3.1415926536
     : Leibniz' formula (four terms): 2.8952380952


Last, if your colleague does not use yet Guix, then let pack (plain tarball,
Docker or Singularity containers) and provide the image. For example,

#+begin_src sh :results none :exports code
guix pack            \
     -f docker       \
     -C none         \
     -S /bin=bin     \
     -S /lib=lib     \
     -S /share=share \
     -S /etc=etc     \
     gcc-toolchain
#+end_src

and knowing the Guix commit (channel), you will be able in the future to
reproduce bit-to-bit this container using =guix time-machine=.


     And now...  congratulations for having survived  to the end of this long
     journey!  May all your computations be reproducible, with Guix.

Re: Proposal for a blog contribution on reproducible computations

[Ludovic Courtès]

Hi Konrad,

Konrad Hinsen <konrad.hinsen@fastmail.net> skribis:

> Here is a first complete draft:
>
>   https://github.com/khinsen/reproducibility-with-guix/blob/master/reproducibility-with-guix.org
>
> Feedback welcome, be it by mail or as issues on GitHub.

I’ve read it entirely and I think it’s perfect.  It’s a pleasant read,
it covers many aspects in a pedagogical way (if I’m able to judge
that!), and it always shows how these nitty-gritty details relate to
reproducible computations.  I like how you explain that it’s human
interpretation that leads us to split “inputs” and “outputs” into more
specific categories (I had already enjoyed that in one of your talks).

Minor comments:

  • You write “Build systems are packages as well”.  This could be
    slightly misleading: build systems are (1) a set of packages, and
    (2) a build procedure.  Dunno if it makes sense to clarify that.

  • In the ‘guix pack’ example, you could perhaps omit all the -S flags
    except for /bin, and mention ‘--save-provenance’.

  • Would it make sense to mention MPFR in the paragraph about IEEE 754?

  • Regarding ‘--container’, you write that namespaces “may not be
    present on your system, or may be disabled by default”, which is a
    bit strong; “may be present on your system, but perhaps disabled by
    default” would be more accurate.  :-)

> Also, what is the procedure for submitting blog posts? What are the
> right formats for text and graphics?

The format we use is Markdown fed to Haunt:

  https://git.savannah.gnu.org/cgit/guix/guix-artwork.git/tree/website/posts

(which is sad because your Org file with Babel sessions is much nicer…).
I think Pierre had something to convert Org to Markdown.  To
syntax-highlight Scheme code, you must start Scheme blocks with
“```scheme” in Markdown.

PNGs for graphics are good.

You can post a patch against the guix-artwork.git repo here when you’re
ready.

If you want we can publish it next Tuesday or Thursday.  We could have
it on both hpc.guix.info and guix.gnu.org, with one saying that it’s a
re-post of the other.

Thank you for the great article!

Ludo’.

Re: Proposal for a blog contribution on reproducible computations

[zimoun]

Hi Ludo,

On Fri, 10 Jan 2020 at 17:59, Ludovic Courtès <ludovic.courtes@inria.fr> wrote:

>   • In the ‘guix pack’ example, you could perhaps omit all the -S flags
>     except for /bin, and mention ‘--save-provenance’.

I am the culprit.

The invocation of "guix pack -f docker" is not clear to me. So
basically, I copied/pasted the lines here [1] :-) because it works all
the time.

[1] http://bioinformatics.mdc-berlin.de/pigx/supplementary-materials.html


That said, I also find interesting the command-line and hashes comparisons:

--8<---------------cut here---------------start------------->8---
/usr/bin/gcc pi.c -o pi-debian-gcc8
docker run -v `pwd`:`pwd` -w `pwd` -ti gcc-toolchain gcc pi.c -o pi-docker
guix environment --container --ad-hoc gcc-toolchain -- gcc pi.c -o pi-guix

md5sum pi-*

b268af34d62763a2a707944403bf7b0b  pi-debian-gcc8
1be3c1b5d1e065017e4c56f725b1a692  pi-docker
1be3c1b5d1e065017e4c56f725b1a692  pi-guix
--8<---------------cut here---------------end--------------->8---

Anyway! :-)


>   • Would it make sense to mention MPFR in the paragraph about IEEE 754?

And MPFI? ;-)


All the best,
simon

Re: Proposal for a blog contribution on reproducible computations

[Giovanni Biscuolo]

[-- Attachment #1: Type: text/plain, Size: 542 bytes --]

Hello,

kudos for the great article!

Ludovic Courtès <ludovic.courtes@inria.fr> writes:

[...]

> The format we use is Markdown fed to Haunt:
>
>   https://git.savannah.gnu.org/cgit/guix/guix-artwork.git/tree/website/posts
>
> (which is sad because your Org file with Babel sessions is much nicer…).
> I think Pierre had something to convert Org to Markdown.

you could try pandoc or emacs-ox-hugo, both in Guix

I can help convert/adapt if needed

HTH!

[...]

-- 
Giovanni Biscuolo

Xelera IT Infrastructures

[-- Attachment #2: signature.asc --]
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Re: Proposal for a blog contribution on reproducible computations

[Konrad Hinsen]

Hi Ludo, Simon, and GIovanni,

Thanks for your feedback !

> Minor comments:
>
>   • You write “Build systems are packages as well”.  This could be
>     slightly misleading: build systems are (1) a set of packages, and
>     (2) a build procedure.  Dunno if it makes sense to clarify that.

Maybe I got something wrong, but I think I described this as you say
(please check!). Quote:

  Build systems are pieces of Guile code that are part of Guix. But this
  Guile code is only a shallow layer orchestrating invocations of other
  software, such as =gcc= or =make=. And that software is defined by
  packages.

The build procedure is that "shallow layer orchestrating invocations".
Does this sound right?

>   • In the ‘guix pack’ example, you could perhaps omit all the -S flags
>     except for /bin, and mention ‘--save-provenance’.

I'll have to look up ‘--save-provenance’ first. I don't use "guix pack"
that much, though I should probably use it more, if only to expose more
people indirectly to Guix.

>   • Would it make sense to mention MPFR in the paragraph about IEEE 754?

I considered it, but left it out because it would probably create
confusion. And people who are aware of MPFR probably don't need my
explanation of floats.

>   • Regarding ‘--container’, you write that namespaces “may not be
>     present on your system, or may be disabled by default”, which is a
>     bit strong; “may be present on your system, but perhaps disabled by
>     default” would be more accurate.  :-)

Fixed. I don't know anything about the implementation techniques of
–container, so I'll blindly write what you say :-)

> The format we use is Markdown fed to Haunt:

OK, pandoc should get me there.

> You can post a patch against the guix-artwork.git repo here when you’re
> ready.

OK.

> If you want we can publish it next Tuesday or Thursday.  We could have
> it on both hpc.guix.info and guix.gnu.org, with one saying that it’s a
> re-post of the other.

Fine with me!


zimoun <zimon.toutoune@gmail.com> writes:

> That said, I also find interesting the command-line and hashes comparisons:
>
> --8<---------------cut here---------------start------------->8---
> /usr/bin/gcc pi.c -o pi-debian-gcc8
> docker run -v `pwd`:`pwd` -w `pwd` -ti gcc-toolchain gcc pi.c -o pi-docker
> guix environment --container --ad-hoc gcc-toolchain -- gcc pi.c -o pi-guix
>
> md5sum pi-*
>
> b268af34d62763a2a707944403bf7b0b  pi-debian-gcc8
> 1be3c1b5d1e065017e4c56f725b1a692  pi-docker
> 1be3c1b5d1e065017e4c56f725b1a692  pi-guix
> --8<---------------cut here---------------end--------------->8---
>
> Anyway! :-)

Nice! Not sure I want to go into that because it requires adding another
system (Debian), which I think is mainly a source of confusion.

>>   • Would it make sense to mention MPFR in the paragraph about IEEE 754?
>
> And MPFI? ;-)

OK, I see another blog post coming ;-) But there are people more
competent than myself for that.


Giovanni Biscuolo <g@xelera.eu> writes:

>> (which is sad because your Org file with Babel sessions is much nicer…).
>> I think Pierre had something to convert Org to Markdown.
>
> you could try pandoc or emacs-ox-hugo, both in Guix
> I can help convert/adapt if needed

My plan for now is pandoc, but if that doesn't work as expected, I'll
come back to your offer for help!

Thanks everyone,
  Konrad.

Re: Proposal for a blog contribution on reproducible computations

[Giovanni Biscuolo]

[-- Attachment #1: Type: text/plain, Size: 1229 bytes --]

Hi Konrad

Konrad Hinsen <konrad.hinsen@fastmail.net> writes:

[...]

> Maybe I got something wrong, but I think I described this as you say
> (please check!). Quote:
>
>   Build systems are pieces of Guile code that are part of Guix. But this
>   Guile code is only a shallow layer orchestrating invocations of other
>   software, such as =gcc= or =make=. And that software is defined by
>   packages.
>
> The build procedure is that "shallow layer orchestrating invocations".
> Does this sound right?

what about "shallow layer (build procedure) orchestrating invocations",
just to be super-clear? :-)

[...]

> Giovanni Biscuolo <g@xelera.eu> writes:
>
>>> (which is sad because your Org file with Babel sessions is much nicer…).
>>> I think Pierre had something to convert Org to Markdown.
>>
>> you could try pandoc or emacs-ox-hugo, both in Guix
>> I can help convert/adapt if needed
>
> My plan for now is pandoc, but if that doesn't work as expected, I'll
> come back to your offer for help!

I seldom used pandoc to converd org to Markdown, please give me a
feedback on the quality of the result, thanks!

[...]

Ciao, Gio'

-- 
Giovanni Biscuolo

Xelera IT Infrastructures

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Re: Proposal for a blog contribution on reproducible computations

[Ludovic Courtès]

Hello!

Konrad Hinsen <konrad.hinsen@fastmail.net> skribis:

>> Minor comments:
>>
>>   • You write “Build systems are packages as well”.  This could be
>>     slightly misleading: build systems are (1) a set of packages, and
>>     (2) a build procedure.  Dunno if it makes sense to clarify that.
>
> Maybe I got something wrong, but I think I described this as you say
> (please check!). Quote:
>
>   Build systems are pieces of Guile code that are part of Guix. But this
>   Guile code is only a shallow layer orchestrating invocations of other
>   software, such as =gcc= or =make=. And that software is defined by
>   packages.
>
> The build procedure is that "shallow layer orchestrating invocations".
> Does this sound right?

Oh yes, that’s entirely correct!  It’s just the section title that I
thought could be misleading, but maybe not given this explanation.

>>   • Regarding ‘--container’, you write that namespaces “may not be
>>     present on your system, or may be disabled by default”, which is a
>>     bit strong; “may be present on your system, but perhaps disabled by
>>     default” would be more accurate.  :-)
>
> Fixed. I don't know anything about the implementation techniques of
> –container, so I'll blindly write what you say :-)

It relies on “unprivileged user namespaces”, a Linux feature that’s been
around for some time, and is almost always compiled in, but is disabled
by default on some major distros.

Thanks!

Ludo’.

Re: Proposal for a blog contribution on reproducible computations

[Konrad Hinsen]

Hi Ludo,

> You can post a patch against the guix-artwork.git repo here when you’re
> ready.

Here it comes !

Cheers,
  Konrad.

From 305b32215ab6ffcf50f0e018c783fddf0e2c7ed0 Mon Sep 17 00:00:00 2001
From: Konrad Hinsen <konrad.hinsen@fastmail.net>
Date: Tue, 14 Jan 2020 10:02:08 +0100
Subject: [PATCH] Add post on reproducibile computations with Guix

---
 website/posts/computation.png              |  Bin 0 -> 81821 bytes
 website/posts/data-code.png                |  Bin 0 -> 90758 bytes
 website/posts/data-program-environment.png |  Bin 0 -> 101598 bytes
 website/posts/guix-package.png             |  Bin 0 -> 48499 bytes
 website/posts/reproducibility-with-guix.md | 1013 ++++++++++++++++++++
 website/posts/show-dependencies.scm        |   76 ++
 6 files changed, 1089 insertions(+)
 create mode 100644 website/posts/computation.png
 create mode 100644 website/posts/data-code.png
 create mode 100644 website/posts/data-program-environment.png
 create mode 100644 website/posts/guix-package.png
 create mode 100644 website/posts/reproducibility-with-guix.md
 create mode 100755 website/posts/show-dependencies.scm

diff --git a/website/posts/computation.png b/website/posts/computation.png
new file mode 100644
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diff --git a/website/posts/reproducibility-with-guix.md b/website/posts/reproducibility-with-guix.md
new file mode 100644
index 0000000..8c7ca54
--- /dev/null
+++ b/website/posts/reproducibility-with-guix.md
@@ -0,0 +1,1013 @@
+title: Reproducible computations with Guix
+author: Konrad Hinsen
+tags: Reproducibility, Research
+date: 2020-1-14 12:00:00
+---
+
+This post is about reproducible computations, so let\'s start with a
+computation. A short, though rather uninteresting, C program is a good
+starting point. It computes π in three different ways:
+
+```c
+#include <math.h>
+#include <stdio.h>
+
+int main()
+{
+    printf( "M_PI                         : %.10lf\n", M_PI);
+    printf( "4 * atan(1.)                 : %.10lf\n", 4.*atan(1.));
+    printf( "Leibniz' formula (four terms): %.10lf\n", 4.*(1.-1./3.+1./5.-1./7.));
+    return 0;
+}
+```
+
+This program uses no random element, such as a random number generator
+or parallelism. It\'s strictly deterministic. It is reasonable to expect
+it to produce exactly the same output, on any computer and at any point
+in time. And yet, many programs whose results *should* be perfectly
+reproducible are in fact not. Programs using floating-point arithmetic,
+such as this short example, are particularly prone to seemingly
+inexplicable variations.
+
+My goal is to explain why deterministic programs often fail to be
+reproducible, and what it takes to fix this. The short answer to that
+question is \"use Guix\", but even though Guix provides excellent
+support for reproducibility, you still have to use it correctly, and
+that requires some understanding of what\'s going on. The explanation I
+will give is rather detailed, to the point of discussing parts of the
+Guile API of Guix. You should be able to follow the reasoning without
+knowing Guile though, you will just have to believe me that the scripts
+I will show do what I claim they do. And in the end, I will provide a
+ready-to-run Guile script that will let you explore package dependencies
+right from the shell.
+
+Dependencies: what it takes to run a program
+============================================
+
+One keyword in discussions of reproducibility is \"dependencies\". I
+will revisit the exact meaning of this term later, but to get started, I
+will define it loosely as \"any software package required to run a
+program\". Running the π computation shown above is normally done using
+something like
+
+```sh
+gcc pi.c -o pi
+./pi
+```
+
+C programmers know that `gcc` is a C compiler, so that\'s one obvious
+dependency for running our little program. But is a C compiler enough?
+That question is surprisingly difficult to answer in practice. Your
+computer is loaded with tons of software (otherwise it wouldn\'t be very
+useful), and you don\'t really know what happens behind the scenes when
+you run `gcc` or `pi`.
+
+Containers are good
+-------------------
+
+A major element of reproducibility support in Guix is the possibility to
+run programs in well-defined environments that contain exactly the
+software packages you request, and no more. So if your program runs in
+an environment that contains only a C compiler, you can be sure it has
+no other dependencies. Let\'s create such an environment:
+
+```sh
+guix environment --container --ad-hoc gcc-toolchain
+```
+
+The option `--container` ensures the best possible isolation from the
+standard environment that your system installation and user account
+provide for day-to-day work. This environment contains nothing but a C
+compiler and a shell (which you need to type in commands), and has
+access to no other files than those in the current directory.
+
+If the term \"container\" makes you think of Docker, note that this is
+something different. Note also that the option `--container` requires
+support from the Linux kernel, which may not be present on your system,
+or may be disabled by default. Finally, note that by default, a
+containerized environment has no network access, which may be a problem.
+If for whatever reason you cannot use `--container`, use `--pure`
+instead. This yields a less isolated environment, but it is usually good
+enough. For a more detailed discussion of these options, see the [Guix
+manual](https://guix.gnu.org/manual/en/guix.html#Invoking-guix-environment).
+
+The above command leaves me in a shell inside my environment, where I
+can now compile and run my little program:
+
+```sh
+gcc pi.c -o pi
+./pi
+```
+
+```
+M_PI                         : 3.1415926536
+4 * atan(1.)                 : 3.1415926536
+Leibniz' formula (four terms): 2.8952380952
+```
+
+It works! So now I can be sure that my program has a single dependency:
+the Guix package `gcc-toolchain`. I\'ll leave that special-environment shell
+by typing Ctrl-D, as otherwise the following examples won't work.
+
+Perfectionists who want to exclude the possibility that my program
+requires a shell could run each step in a separate container:
+
+```sh
+guix environment --container --ad-hoc gcc-toolchain -- gcc pi.c -o pi
+guix environment --container --ad-hoc gcc-toolchain -- ./pi
+```
+
+```
+M_PI                         : 3.1415926536
+4 * atan(1.)                 : 3.1415926536
+Leibniz' formula (four terms): 2.8952380952
+```
+
+Welcome to dependency hell!
+---------------------------
+
+Now that we know that our only dependency is `gcc-toolchain`, let\'s
+look at it in more detail:
+
+```sh
+guix show gcc-toolchain
+```
+
+```
+name: gcc-toolchain
+version: 9.2.0
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@9.2.0 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+name: gcc-toolchain
+version: 8.3.0
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@8.3.0 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+name: gcc-toolchain
+version: 7.4.0
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@7.4.0 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+name: gcc-toolchain
+version: 6.5.0
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@6.5.0 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+name: gcc-toolchain
+version: 5.5.0
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@5.5.0 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+name: gcc-toolchain
+version: 4.9.4
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@4.9.4 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+name: gcc-toolchain
+version: 4.8.5
+outputs: out debug static
+systems: x86_64-linux i686-linux
+dependencies: binutils@2.32 gcc@4.8.5 glibc@2.29 ld-wrapper@0
+location: gnu/packages/commencement.scm:2532:4
+homepage: https://gcc.gnu.org/
+license: GPL 3+
+synopsis: Complete GCC tool chain for C/C++ development  
+description: This package provides a complete GCC tool chain for C/C++
++ development to be installed in user profiles.  This includes GCC, as well as
++ libc (headers an d binaries, plus debugging symbols in the `debug' output),
++ and Binutils.
+
+```
+
+Guix actually knows about several versions of this toolchain. We didn\'t
+ask for a specific one, so what we got is the first one in this list,
+which is the one with the highest version number. Let\'s check that this
+is true:
+
+```sh
+guix environment --container --ad-hoc gcc-toolchain -- gcc --version
+```
+
+```
+gcc (GCC) 9.2.0
+Copyright (C) 2019 Free Software Foundation, Inc.
+This is free software; see the source for copying conditions.  There is NO
+warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
+
+```
+
+The output of `guix show` contains a line about dependencies. These are
+the dependencies of our dependency, and you may already have guessed
+that they will have dependencies as well. That\'s why reproducibility is
+such a difficult job in practice! The dependencies of
+`gcc-toolchain@9.2.0` are:
+
+```sh
+guix show gcc-toolchain@9.2.0 | recsel -P dependencies
+```
+
+```
+binutils@2.32 gcc@9.2.0 glibc@2.29 ld-wrapper@0
+```
+
+To dig deeper, we can try feeding these dependencies to `guix show`, one
+by one, in order to learn more about them:
+
+```sh
+guix show binutils@2.32
+```
+
+```
+name: binutils
+version: 2.32
+outputs: out
+systems: x86_64-linux i686-linux
+dependencies: 
+location: gnu/packages/base.scm:415:2
+homepage: https://www.gnu.org/software/binutils/
+license: GPL 3+
+synopsis: Binary utilities: bfd gas gprof ld  
+description: GNU Binutils is a collection of tools for working with binary
++ files.  Perhaps the most notable are "ld", a linker, and "as", an assembler.
++ Other tools include programs to display binary profiling information, list the
++ strings in a binary file, and utilities for working with archives.  The "bfd"
++ library for working with executable and object formats is also included.
+
+```
+
+```sh
+guix show gcc@9.2.0
+```
+
+```
+guix show: error: gcc@9.2.0: package not found
+```
+
+This looks a bit surprising. What\'s happening here is that `gcc` is
+defined as a *hidden package* in Guix. The package is there, but it is
+hidden from package queries. There is a good reason for this: `gcc` on
+its own is rather useless, you need `gcc-toolchain` to actually use the
+compiler. But if both `gcc` and `gcc-toolchain` showed up in a search,
+that would be more confusing than helpful for most users. Hiding the
+package is a way of saying \"for experts only\".
+
+Let\'s take this as a sign that it\'s time to move on to the next level
+of Guix hacking: Guile scripts. Guile, an implementation of the Scheme
+language, is Guix\' native language, so using Guile scripts, you get
+access to everything there is to know about Guix and its packages.
+
+A note in passing: the
+[emacs-guix](https://emacs-guix.gitlab.io/website/) package provides an
+intermediate level of Guix exploration for Emacs users. It lets you look
+at hidden packages, for example. But much of what I will show in the
+following really requires Guile scripts. Another nice tool for package
+exploration is [guix
+graph](https://guix.gnu.org/manual/en/guix.html#Invoking-guix-graph),
+which creates a diagram showing dependency relations between packages.
+Unfortunately that diagram is legible only for a relatively small number
+of dependencies, and as we will see later, most packages end up having
+lots of them.
+
+Anatomy of a Guix package
+=========================
+
+From the user\'s point of view, a package is a piece of software with a
+name and a version number that can be installed using `guix install`.
+The packager\'s point of view is quite a bit different. In fact, what
+users consider a package is more precisely called the package\'s
+*output* in Guix jargon. The package is a recipe for creating this
+output.
+
+To see how all these concepts fit together, let\'s look at an example of
+a package definition: `xmag`. I have chosen this package not because I
+care much about it, but because its definition is short while showcasing
+all the features I want to explain. You can access it most easily by
+typing `guix edit xmag`. Here is what you will see:
+
+```scheme
+(package
+  (name "xmag")
+  (version "1.0.6")
+  (source
+   (origin
+     (method url-fetch)
+     (uri (string-append
+           "mirror://xorg/individual/app/" name "-" version ".tar.gz"))
+     (sha256
+      (base32
+       "19bsg5ykal458d52v0rvdx49v54vwxwqg8q36fdcsv9p2j8yri87"))))
+  (build-system gnu-build-system)
+  (arguments
+   `(#:configure-flags
+     (list (string-append "--with-appdefaultdir="
+                          %output ,%app-defaults-dir))))
+  (inputs
+   `(("libxaw" ,libxaw)))
+  (native-inputs
+   `(("pkg-config" ,pkg-config)))
+  (home-page "https://www.x.org/wiki/")
+  (synopsis "Display or capture a magnified part of a X11 screen")
+  (description "Xmag displays and captures a magnified snapshot of a portion
+of an X11 screen.")
+  (license license:x11))
+```
+
+The [package
+definition](http://guix.gnu.org/manual/devel/en/html_node/Defining-Packages.html#Defining-Packages)
+starts with the name and version information you expected. Next comes
+`source`, which says how to obtain the source code and from where. It
+also provides a hash that allows to check the integrity of the
+downloaded files. The next four items, `build-system`, `arguments`,
+`inputs`, and `native-inputs` supply the information required for
+*building* the package, which is what creates its outputs. The remaining
+items are documentation for human consumption, important for other
+reasons but not for reproducibility, so I won\'t say any more about
+them. (See this [packaging
+tutorial](http://guix.gnu.org/cookbook/en/html_node/Packaging.html#Packaging)
+if you want to define your own package.)
+
+The example package definition has `native-inputs` in addition to
+\"plain\" `inputs`. There\'s a third variant, `propagated-inputs`, but
+`xmag` doesn\'t have any. The differences between these variants don\'t
+matter for my topic, so I will just refer to \"inputs\" from now on.
+Another omission I will make is the possibility to define several
+outputs for a package. This is done for particularly big packages, in
+order to reduce the footprint of installations, but for the purposes of
+reproducibility, it\'s OK to treat all outputs of a package a single
+unit.
+
+The following figure illustrates how the various pieces of information
+from a package are used in the build process (done explicitly by
+`guix build`, or implicitly when installing or otherwise using a
+package): ![](guix-package.png)
+
+It may help to translate the Guix jargon to the vocabulary of C
+programming:
+
+<table>
+  <tr>
+    <th>Guix package</th>   <th>C program</th>
+  </tr>
+  <tr>
+    <td>source code</td>    <td>source code</td>
+  </tr>
+  <tr>
+    <td>inputs</td>         <td>libraries</td>
+  </tr>
+  <tr>
+    <td>arguments</td>      <td>compiler options</td>
+  </tr>
+  <tr>
+    <td>build system</td>   <td>compiler</td>
+  </tr>
+  <tr>
+    <td>output</td>         <td>executable</td>
+  </tr>
+</table>
+
+Building a package can be considered a generalization of compiling a
+program. We could in fact create a \"GCC build system\" for Guix that
+would simply run `gcc`. However, such a build system would be of little
+practical use, since most real-life software consists of more than just
+one C source code file, and requires additional pre- or post-processing
+steps. The `gnu-build-system` used in the example is based on tools such
+as `make` and `autoconf`, in addition to `gcc`.
+
+Package exploration in Guile
+============================
+
+Guile uses a record type called
+[`<package>`](https://git.savannah.gnu.org/cgit/guix.git/tree/guix/packages.scm#n249)
+to represent packages, which is defined in module `(guix packages)`.
+There is also a module
+[`(gnu packages)`](https://git.savannah.gnu.org/cgit/guix.git/tree/gnu/packages),
+which contains the actual package definitions - be careful not to
+confuse the two (as I always do). Here is a simple Guile script that
+shows some package information, much like the `guix show` command that I
+used earlier:
+
+```scheme
+(use-modules (guix packages)
+             (gnu packages)) 
+
+(define gcc-toolchain
+  (specification->package "gcc-toolchain"))
+
+(format #t "Name   : ~a\n" (package-name gcc-toolchain))
+(format #t "Version: ~a\n" (package-version gcc-toolchain))
+(format #t "Inputs : ~a\n" (package-direct-inputs gcc-toolchain))
+```
+
+```
+Name   : gcc-toolchain
+Version: 9.2.0
+Inputs : ((gcc #<package gcc@9.2.0 gnu/packages/gcc.scm:524 7fc2d76af160>) (ld-wrapper #<package ld-wrapper@0 gnu/packages/base.scm:505 7fc2d306f580>) (binutils #<package binutils@2.32 gnu/packages/commencement.scm:2187 7fc2d306fdc0>) (libc #<package glibc@2.29 gnu/packages/commencement.scm:2145 7fc2d306fe70>) (libc-debug #<package glibc@2.29 gnu/packages/commencement.scm:2145 7fc2d306fe70> debug) (libc-static #<package glibc@2.29 gnu/packages/commencement.scm:2145 7fc2d306fe70> static))
+```
+
+This script first calls `specification->package` to look up the package
+using the same rules as the `guix` command line interface: pick the
+latest available version if none is explicitly requested. Then it
+extracts various information about the package. Note that
+`package-direct-inputs` returns the combination of `package-inputs`,
+`package-native-inputs`, and `package-propagated-inputs`. As I said
+above, I don\'t care about the distinction here.
+
+The inputs are not shown in a particularly nice form, so let\'s write
+two Guile functions to improve it:
+
+```scheme
+(use-modules (guix packages)
+             (gnu packages)
+             (ice-9 match))
+
+(define (package->specification package)
+  (format #f "~a@~a"
+          (package-name package)
+          (package-version package)))
+
+(define (input->specification input)
+  (match input
+    ((label (? package? package) . _)
+     (package->specification package))
+    (other-item
+     (format #f "~a" other-item))))
+
+(define gcc-toolchain
+  (specification->package "gcc-toolchain"))
+
+(format #t "Package: ~a\n"
+        (package->specification gcc-toolchain))
+(format #t "Inputs : ~a\n"
+        (map input->specification (package-direct-inputs gcc-toolchain)))
+```
+
+```
+Package: gcc-toolchain@9.2.0
+Inputs : (gcc@9.2.0 ld-wrapper@0 binutils@2.32 glibc@2.29 glibc@2.29 glibc@2.29)
+```
+
+That looks much better. As you can see from the code, a list of inputs
+is a bit more than a list of packages. It is in fact a list of labelled
+*package outputs*. That also explains why we see `glibc` three times in
+the input list: `glibc` defines three distinct outputs, all of which are
+used in `gcc-toolchain`. For reproducibility, all we care about is the
+package references. Later on, we will deal with much longer input lists,
+so as a final cleanup step, let\'s show only unique package references
+from the list of inputs:
+
+```scheme
+(use-modules (guix packages)
+             (gnu packages)
+             (srfi srfi-1)
+             (ice-9 match))
+
+(define (package->specification package)
+  (format #f "~a@~a"
+          (package-name package)
+          (package-version package)))
+
+(define (input->specification input)
+  (match input
+    ((label (? package? package) . _)
+     (package->specification package))
+    (other-item
+     (format #f "~a" other-item))))
+
+(define (unique-inputs inputs)
+  (delete-duplicates
+   (map input->specification inputs)))
+
+(define gcc-toolchain
+  (specification->package "gcc-toolchain"))
+
+(format #t "Package: ~a\n"
+        (package->specification gcc-toolchain))
+(format #t "Inputs : ~a\n"
+        (unique-inputs (package-direct-inputs gcc-toolchain)))
+```
+
+```
+Package: gcc-toolchain@9.2.0
+Inputs : (gcc@9.2.0 ld-wrapper@0 binutils@2.32 glibc@2.29)
+```
+
+Dependencies
+============
+
+You may have noticed the absence of the term \"dependency\" from the
+last two sections. There is a good reason for that: the term is used in
+somewhat different meanings, and that can create confusion. Guix jargon
+therefore avoids it.
+
+The figure above shows three kinds of input to the build system: source,
+inputs, and arguments. These categories reflect the packagers\' point of
+view: `source` is what the authors of the software supply, `inputs` are
+other packages, and `arguments` is what the packagers themselves add to
+the build procedure. It is important to understand that from a purely
+technical point of view, there is no fundamental difference between the
+three categories. You could, for example, define a package that contains
+C source code in the build system `arguments`, but leaves `source`
+empty. This would be inconvenient, and confusing for others, so I don\'t
+recommend you actually do this. The three categories are important, but
+for humans, not for computers. In fact, even the build system is not
+fundamentally distinct from its inputs. You could define a
+special-purpose build system for one package, and put all the source
+code in there. At the level of the CPU and the computer\'s memory, a
+build process (as in fact *any* computation) looks like
+![](computation.png) It is human interpretation that decomposes this
+into ![](data-code.png) and in a next step into
+![](data-program-environment.png) We can go on and divide the
+environment into operating system, development tools, and application
+software, for example, but the further we go in decomposing the input to
+a computation, the more arbitrary it gets.
+
+From this point of view, a software\'s dependencies consist of
+everything required to run it in addition to its source code. For a Guix
+package, the dependencies are thus,
+
+-   its inputs
+-   the build system arguments
+-   the build system itself
+-   Guix (which is a piece of software as well)
+-   the GNU/Linux operating system (kernel, file system, etc.).
+
+In the following, I will not mention the last two items any more,
+because they are a common dependency of all Guix packages, but it\'s
+important not to forget about them. A change in Guix or in GNU/Linux can
+actually make a computation non-reproducible, although in practice that
+happens very rarely. Moreover, Guix is actually designed to run older
+versions of itself, as we will see later.
+
+Build systems are (mostly) packages as well
+===========================================
+
+I hope that by now you have a good idea of what a package is: a recipe
+for building outputs from source and inputs, with inputs being the
+outputs of other packages. The recipe involves a build system and
+arguments supplied to it. So... what exactly is a build system? I have
+introduced it as a generalization of a compiler, which describes its
+role. But where does a build system come from in Guix?
+
+The ultimate answer is of course the [source
+code](https://git.savannah.gnu.org/cgit/guix.git/tree/guix/build-system).
+Build systems are pieces of Guile code that are part of Guix. But this
+Guile code is only a shallow layer orchestrating invocations of other
+software, such as `gcc` or `make`. And that software is defined by
+packages. So in the end, from a reproducibility point of view, we can
+replace the \"build system\" item in our list of dependenies by \"a
+bundle of packages\". In other words: more inputs.
+
+Before Guix can build a package, it must gather all the required
+ingredients, and that includes replacing the build system by the
+packages it represents. The resulting list of ingredients is called a
+`bag`, and we can access it using a Guile script:
+
+```scheme
+(use-modules (guix packages)
+             (gnu packages)
+             (srfi srfi-1)
+             (ice-9 match))
+
+(define (package->specification package)
+  (format #f "~a@~a"
+          (package-name package)
+          (package-version package)))
+
+(define (input->specification input)
+  (match input
+    ((label (? package? package) . _)
+     (package->specification package))
+    ((label (? origin? origin))
+     (format #f "[source code from ~a]"
+             (origin-uri origin)))
+    (other-input
+     (format #f "~a" other-input))))
+
+(define (unique-inputs inputs)
+  (delete-duplicates
+   (map input->specification inputs)))
+
+(define hello
+  (specification->package "hello"))
+
+(format #t "Package       : ~a\n"
+        (package->specification hello))
+(format #t "Package inputs: ~a\n"
+        (unique-inputs (package-direct-inputs hello)))
+(format #t "Build inputs  : ~a\n"
+        (unique-inputs
+         (bag-direct-inputs
+          (package->bag hello))))
+```
+
+```
+Package       : hello@2.10
+Package inputs: ()
+Build inputs  : ([source code from mirror://gnu/hello/hello-2.10.tar.gz] tar@1.32 gzip@1.10 bzip2@1.0.6 xz@5.2.4 file@5.33 diffutils@3.7 patch@2.7.6 findutils@4.6.0 gawk@5.0.1 sed@4.7 grep@3.3 coreutils@8.31 make@4.2.1 bash-minimal@5.0.7 ld-wrapper@0 binutils@2.32 gcc@7.4.0 glibc@2.29 glibc-utf8-locales@2.29)
+```
+
+I have used a different example,
+[`hello`](https://git.savannah.gnu.org/cgit/guix.git/tree/gnu/packages/base.scm#n72),
+because for `gcc-toolchain`, there is no difference between package
+inputs and build inputs (check for yourself if you want!) My new
+example, [`hello`](https://hpc.guix.info/package/hello) (a short demo
+program printing \"Hello, world\" in the language of the system
+installation), is interesting because it has no package inputs at all.
+All the build inputs except for the source code have thus been
+contributed by the build system.
+
+If you compare this script to the previous one that printed only the
+package inputs, you will notice two major new features. In
+`input->specification`, there is an additional case for the source code
+reference. And in the last statement, `package->bag` constructs a bag
+from the package, before `bag-direct-inputs` is called to get that
+bag\'s input list.
+
+Inputs are outputs
+==================
+
+I have mentioned before that one package\'s inputs are other packages\'
+outputs, but that fact deserves a more in-depth discussion because of
+its crucial importance for reproducibility. A package is a recipe for
+building outputs from source and inputs. Since these inputs are outputs,
+they must have been built as well. Package building is therefore a
+process consisting of multiple steps. An immediate consequence is that
+any computation making use of packaged software is a multi-step
+computation as well.
+
+Remember the short C program computing π from the beginning of this
+post? Running that program is only the last step in a long series of
+computations. Before you can run `pi`, you must compile `pi.c`. That
+requires the package `gcc-toolchain`, which must first be built. And
+before it can be built, its inputs must be built. And so on. If you want
+the output of `pi` to be reproducible, **the whole chain of computations
+must be reproducible**, because each step can have an impact on the
+results produced by `pi`.
+
+So... where does this chain start? Few people write machine code these
+days, so almost all software requires some compiler or interpreter. And
+that means that for every package, there are other packages that must be
+built first. The question of how to get this chain started is known as
+the bootstrapping problem. A rough summary of the solution is that the
+chain starts on somebody else\'s computer, which creates a bootstrap
+seed, an ideally small package that is downloaded in precompiled form.
+See [this post by Jan
+Nieuwenhuizen](https://guix.gnu.org/blog/2019/guix-reduces-bootstrap-seed-by-50/)
+for details of this procedure. The bootstrap seed is not the real start
+of the chain, but as long as we can retrieve an identical copy at a
+later time, that\'s good enough for reproducibility. In fact, the reason
+for requiring the bootstrap seed to be small is not reproducibility, but
+inspectability: it should be possible to audit the seed for bugs and
+malware, even in the absence of source code.
+
+Reaching closure
+----------------
+
+Now we are finally ready for the ultimate step in dependency analysis:
+identifying all packages on which a computation depends, right up to the
+bootstrap seed. The starting point is the list of direct inputs of the
+bag derived from a package, which we looked at in the previous script.
+For each package in that list, we must apply this same procedure,
+recursively. We don\'t have to write this code ourselves, because the
+function `package-closure` in Guix does that job. These closures have
+nothing to do with closures in Lisp, and even less with the Clojure
+programming language. They are a case of what mathematicians call
+[transitive closures](https://en.wikipedia.org/wiki/Transitive_closure):
+starting with a set of packages, you extend the set repeatedly by adding
+the inputs of the packages that are already in the set, until there is
+nothing more to add. If you have a basic knowledge of Scheme, you should
+now be able to understand
+[implementation](https://git.savannah.gnu.org/cgit/guix.git/tree/guix/packages.scm#n817)
+of this function. Let\'s add it to our dependency analysis code:
+
+```scheme
+(use-modules (guix packages)
+             (gnu packages)
+             (srfi srfi-1)
+             (ice-9 match))
+
+(define (package->specification package)
+  (format #f "~a@~a"
+          (package-name package)
+          (package-version package)))
+
+(define (input->specification input)
+  (match input
+    ((label (? package? package) . _)
+     (package->specification package))
+    ((label (? origin? origin))
+     (format #f "[source code from ~a]"
+             (origin-uri origin)))
+    (other-input
+     (format #f "~a" other-input))))
+
+(define (unique-inputs inputs)
+  (delete-duplicates
+   (map input->specification inputs)))
+
+(define (length-and-list lists)
+  (list (length lists) lists))
+
+(define hello
+  (specification->package "hello"))
+
+(format #t "Package        : ~a\n"
+        (package->specification hello))
+(format #t "Package inputs : ~a\n"
+        (length-and-list (unique-inputs (package-direct-inputs hello))))
+(format #t "Build inputs   : ~a\n"
+        (length-and-list
+         (unique-inputs
+          (bag-direct-inputs
+           (package->bag hello)))))
+(format #t "Package closure: ~a\n"
+        (length-and-list
+         (delete-duplicates
+          (map package->specification
+               (package-closure (list hello))))))
+```
+
+```
+Package        : hello@2.10
+Package inputs : (0 ())
+Build inputs   : (20 ([source code from mirror://gnu/hello/hello-2.10.tar.gz] tar@1.32 gzip@1.10 bzip2@1.0.6 xz@5.2.4 file@5.33 diffutils@3.7 patch@2.7.6 findutils@4.6.0 gawk@5.0.1 sed@4.7 grep@3.3 coreutils@8.31 make@4.2.1 bash-minimal@5.0.7 ld-wrapper@0 binutils@2.32 gcc@7.4.0 glibc@2.29 glibc-utf8-locales@2.29))
+Package closure: (84 (m4@1.4.18 libatomic-ops@7.6.10 gmp@6.1.2 libgc@7.6.12 libltdl@2.4.6 libunistring@0.9.10 libffi@3.2.1 pkg-config@0.29.2 guile@2.2.6 libsigsegv@2.12 lzip@1.21 ed@1.15 perl@5.30.0 guile-bootstrap@2.0 zlib@1.2.11 xz@5.2.4 ncurses@6.1-20190609 libxml2@2.9.9 attr@2.4.48 gettext-minimal@0.20.1 gcc-cross-boot0-wrapped@7.4.0 libstdc++@7.4.0 ld-wrapper-boot3@0 bootstrap-binaries@0 ld-wrapper-boot0@0 flex@2.6.4 glibc-intermediate@2.29 libstdc++-boot0@4.9.4 expat@2.2.7 gcc-mesboot1-wrapper@4.7.4 mesboot-headers@0.19 gcc-core-mesboot@2.95.3 bootstrap-mes@0 bootstrap-mescc-tools@0.5.2 tcc-boot0@0.9.26-6.c004e9a mes-boot@0.19 tcc-boot@0.9.27 make-mesboot0@3.80 gcc-mesboot0@2.95.3 binutils-mesboot0@2.20.1a make-mesboot@3.82 diffutils-mesboot@2.7 gcc-mesboot1@4.7.4 glibc-headers-mesboot@2.16.0 glibc-mesboot0@2.2.5 binutils-mesboot@2.20.1a linux-libre-headers@4.19.56 linux-libre-headers-bootstrap@0 gcc-mesboot@4.9.4 glibc-mesboot@2.16.0 gcc-cross-boot0@7.4.0 bash-static@5.0.7 gettext-boot0@0.19.8.1 python-minimal@3.5.7 perl-boot0@5.30.0 texinfo@6.6 bison@3.4.1 gzip@1.10 libcap@2.27 acl@2.2.53 glibc-utf8-locales@2.29 gcc-mesboot-wrapper@4.9.4 file-boot0@5.33 findutils-boot0@4.6.0 diffutils-boot0@3.7 make-boot0@4.2.1 binutils-cross-boot0@2.32 glibc@2.29 gcc@7.4.0 binutils@2.32 ld-wrapper@0 bash-minimal@5.0.7 make@4.2.1 coreutils@8.31 grep@3.3 sed@4.7 gawk@5.0.1 findutils@4.6.0 patch@2.7.6 diffutils@3.7 file@5.33 bzip2@1.0.6 tar@1.32 hello@2.10))
+```
+
+That\'s 84 packages, just for printing \"Hello, world!\". As promised,
+it includes the boostrap seed, called `bootstrap-binaries`. It may be
+more surprising to see Perl and Python in the dependency list of what is
+a pure C program. The explanation is that the build process of `gcc` and
+`glibc` contains Perl and Python code. Considering that both Perl and
+Python are written in C and use `glibc`, this hints at why bootstrapping
+is a hard problem!
+
+Get ready for your own analyses
+-------------------------------
+
+As promised, here is a [Guile script](show-dependencies.scm) that you
+can download and run from the command line to do dependency analyses
+much like the ones I have shown. Just give the packages whose combined
+list of dependencies you want to analyze. For example:
+
+```sh
+./show-dependencies.scm hello
+```
+
+```
+Packages: 1
+  hello@2.10
+Package inputs: 0 packages
+ 
+Build inputs: 20 packages
+  [source code from mirror://gnu/hello/hello-2.10.tar.gz] bash-minimal@5.0.7 binutils@2.32 bzip2@1.0.6 coreutils@8.31 diffutils@3.7 file@5.33 findutils@4.6.0 gawk@5.0.1 gcc@7.4.0 glibc-utf8-locales@2.29 glibc@2.29 grep@3.3 gzip@1.10 ld-wrapper@0 make@4.2.1 patch@2.7.6 sed@4.7 tar@1.32 xz@5.2.4
+Package closure: 84 packages
+  acl@2.2.53 attr@2.4.48 bash-minimal@5.0.7 bash-static@5.0.7 binutils-cross-boot0@2.32 binutils-mesboot0@2.20.1a binutils-mesboot@2.20.1a binutils@2.32 bison@3.4.1 bootstrap-binaries@0 bootstrap-mes@0 bootstrap-mescc-tools@0.5.2 bzip2@1.0.6 coreutils@8.31 diffutils-boot0@3.7 diffutils-mesboot@2.7 diffutils@3.7 ed@1.15 expat@2.2.7 file-boot0@5.33 file@5.33 findutils-boot0@4.6.0 findutils@4.6.0 flex@2.6.4 gawk@5.0.1 gcc-core-mesboot@2.95.3 gcc-cross-boot0-wrapped@7.4.0 gcc-cross-boot0@7.4.0 gcc-mesboot-wrapper@4.9.4 gcc-mesboot0@2.95.3 gcc-mesboot1-wrapper@4.7.4 gcc-mesboot1@4.7.4 gcc-mesboot@4.9.4 gcc@7.4.0 gettext-boot0@0.19.8.1 gettext-minimal@0.20.1 glibc-headers-mesboot@2.16.0 glibc-intermediate@2.29 glibc-mesboot0@2.2.5 glibc-mesboot@2.16.0 glibc-utf8-locales@2.29 glibc@2.29 gmp@6.1.2 grep@3.3 guile-bootstrap@2.0 guile@2.2.6 gzip@1.10 hello@2.10 ld-wrapper-boot0@0 ld-wrapper-boot3@0 ld-wrapper@0 libatomic-ops@7.6.10 libcap@2.27 libffi@3.2.1 libgc@7.6.12 libltdl@2.4.6 libsigsegv@2.12 libstdc++-boot0@4.9.4 libstdc++@7.4.0 libunistring@0.9.10 libxml2@2.9.9 linux-libre-headers-bootstrap@0 linux-libre-headers@4.19.56 lzip@1.21 m4@1.4.18 make-boot0@4.2.1 make-mesboot0@3.80 make-mesboot@3.82 make@4.2.1 mes-boot@0.19 mesboot-headers@0.19 ncurses@6.1-20190609 patch@2.7.6 perl-boot0@5.30.0 perl@5.30.0 pkg-config@0.29.2 python-minimal@3.5.7 sed@4.7 tar@1.32 tcc-boot0@0.9.26-6.c004e9a tcc-boot@0.9.27 texinfo@6.6 xz@5.2.4 zlib@1.2.11
+```
+
+You can now easily experiment yourself, even if you are not at ease with
+Guile. For example, suppose you have a small Python script that plots
+some data using matplotlib. What are its dependencies? First you should
+check that it runs in a minimal environment:
+
+```sh
+guix environment --container --ad-hoc python python-matplotlib -- python my-script.py
+```
+
+Next, find its dependencies:
+
+```sh
+./show-dependencies.scm python python-matplotlib
+```
+
+I won\'t show the output here because it is rather long - the package
+closure contains 499 packages!
+
+OK, but... what are the *real* dependencies?
+============================================
+
+I have explained dependencies along these lines in a few seminars.
+There\'s one question that someone in the audience is bound to ask: What
+do the results of a computation *really* depend on? The output of
+`hello` is `"Hello, world!"`, no matter which version of `gcc` I use to
+compile it, and no matter which version of `python` was used in building
+`glibc`. The package closure is a worst-case estimate: it contains
+everything that can *potentially* influence the results, though most of
+it doesn\'t in practice. Unfortunately, there is no way to identify the
+dependencies that matter automatically, because answering that question
+in general (i.e. for arbitrary software) is equivalent to solving the
+[halting problem](https://en.wikipedia.org/wiki/Halting_problem).
+
+Most package managers, such as Debian\'s `apt` or the multi-platform
+`conda`, take a different point of view. They define the dependencies of
+a program as all packages that need to be loaded into memory in order to
+run it. They thus exclude the software that is required to *build* the
+program and its run-time dependencies, but can then be discarded.
+Whereas Guix\' definition errs on the safe side (its dependency list is
+often longer than necessary but never too short), the run-time-only
+definition is both too vast and too restrictive. Many run-time
+dependencies don\'t have an impact on most programs\' results, but some
+build-time dependencies do.
+
+One important case where build-time dependencies matter is
+floating-point computations. For historical reasons, they are surrounded
+by an aura of vagueness and imprecision, which goes back to its early
+days, when many details were poorly understood and implementations
+varied a lot. Today, all computers used for scientific computing respect
+the [IEEE 754 standard](https://en.wikipedia.org/wiki/IEEE_754) that
+precisely defines how floating-point numbers are represented in memory
+and what the result of each arithmetic operation must be. Floating-point
+arithmetic is thus perfectly deterministic and even perfectly portable
+between machines, if expressed in terms of the operations defined by the
+standard. However, high-level languages such as C or Fortran do not
+allow programmers to do that. Its designers assume (probably correctly)
+that most programmers do not want to deal with the intricate details of
+rounding. Therefore they provide only a simplified interface to the
+arithmetic operations of IEEE 754, which incidentally also leaves more
+liberty for code optimization to compiler writers. The net result is
+that the complete specification of a program\'s results is its source
+code *plus the compiler and the compilation options*. You thus *can* get
+reproducible floating-point results if you include all compilation steps
+into the perimeter of your computation, at least for code running on a
+single processor. Parallel computing is a different story: it involves
+voluntarily giving up reproducibility in exchange for speed.
+Reproducibility then becomes a best-effort approach of limiting the
+collateral damage done by optimization through the clever design of
+algorithms.
+
+Reproducing a reproducible computation
+======================================
+
+So far, I have explained the theory behind reproducible computations.
+The take-home message is that to be sure to get exactly the same results
+in the future, you have to use the exact same versions of all packages
+in the package closure of your immediate dependencies. I have also shown
+you how you can access that package closure. There is one missing piece:
+how do you actually run your program in the future, using the same
+environment?
+
+The good news is that doing this is a lot simpler than understanding my
+lengthy explanations (which is why I leave this for the end!). The
+complex dependency graphs that I have analyzed up to here are encoded in
+the Guix source code, so all you need to re-create your environment is
+the exact same version of Guix! You get that version using
+
+```sh
+guix describe
+```
+
+```
+Generation 15 Jan 06 2020 13:30:45    (current)
+  guix 769b96b
+    repository URL: https://git.savannah.gnu.org/git/guix.git
+    branch: master
+    commit: 769b96b62e8c09b078f73adc09fb860505920f8f
+```
+
+The critical information here is the unpleasantly looking string of
+hexadecimal digits after \"commit\". This is all it takes to uniquely
+identify a version of Guix. And to re-use it in the future, all you need
+is Guix\' time machine:
+
+```sh
+guix time-machine --commit=769b96b62e8c09b078f73adc09fb860505920f8f -- environment --ad-hoc gcc-toolchain
+```
+
+```
+Updating channel 'guix' from Git repository at 'https://git.savannah.gnu.org/git/guix.git'...
+```
+
+```sh
+gcc pi.c -o pi
+./pi
+```
+
+```
+M_PI                         : 3.1415926536
+4 * atan(1.)                 : 3.1415926536
+Leibniz' formula (four terms): 2.8952380952
+```
+
+The time machine actually downloads the specified version of Guix and
+passes it the rest of the command line. You are running the same code
+again. Even bugs in Guix will be reproduced faithfully! As before,
+`guix environment` leaves us in a special-environment shell which
+needs to be terminated by Ctrl-D.
+
+For many practical use cases, this technique is sufficient. But there
+are two variants you should know about for more complicated situations:
+
+-   If you need an environment with many packages, you should use a
+    manifest rather than list the packages on the command line. See [the
+    manual](https://guix.gnu.org/manual/en/html_node/Invoking-guix-environment.html)
+    for details.
+
+-   If you need packages from additional channels, i.e. packages that
+    are not part of the official Guix distribution, you should store a
+    complete channel description in a file using
+
+```sh
+guix describe -f channels > guix-version-for-reproduction.txt
+```
+
+and feed that file to the time machine:
+
+```sh
+guix time-machine --channels=guix-version-for-reproduction.txt -- environment --ad-hoc gcc-toolchain
+```
+
+```
+Updating channel 'guix' from Git repository at 'https://git.savannah.gnu.org/git/guix.git'...
+```
+
+```sh
+gcc pi.c -o pi
+./pi
+```
+
+```
+M_PI                         : 3.1415926536
+4 * atan(1.)                 : 3.1415926536
+Leibniz' formula (four terms): 2.8952380952
+```
+
+Last, if your colleagues do not use Guix yet, you can pack your
+reproducible software for use on other systems: as a tarball, or as a
+Docker or Singularity container image. For example:
+
+```sh
+guix pack            \
+     -f docker       \
+     -C none         \
+     -S /bin=bin     \
+     -S /lib=lib     \
+     -S /share=share \
+     -S /etc=etc     \
+     gcc-toolchain
+```
+
+```
+/gnu/store/iqn9yyvi8im18g7y9f064lw9s9knxp0w-docker-pack.tar
+```
+
+will produce a Docker container image, and with the knowledge of the
+Guix commit (or channel specification), you will be able in the future
+to reproduce this container bit-to-bit using `guix time-machine`.
+
+And now... congratulations for having survived to the end of this long
+journey! May all your computations be reproducible, with Guix.
diff --git a/website/posts/show-dependencies.scm b/website/posts/show-dependencies.scm
new file mode 100755
index 0000000..9a432de
--- /dev/null
+++ b/website/posts/show-dependencies.scm
@@ -0,0 +1,76 @@
+#!/usr/bin/env -S guile -s
+!#
+
+(use-modules (guix packages)
+             ((gnu packages)  #:select (specification->package
+                                        specification->package+output))
+             ((srfi srfi-1)   #:select (delete-duplicates))
+             ((srfi srfi-11)  #:select (let-values))
+             ((ice-9 match)   #:select (match))
+             ((ice-9 format)  #:select (format)))
+
+(define (package->specification package)
+  (format #f "~a@~a"
+          (package-name package)
+          (package-version package)))
+
+(define (input->specification input)
+  (match input
+    ((label (? package? package) . _)
+     (package->specification package))
+    ((label (? origin? origin))
+     (format #f "[source code from ~a]"
+             (origin-uri origin)))
+    (other-input
+     (format #f "~a" other-input))))
+
+(define (unique-inputs inputs)
+  (delete-duplicates
+   (map input->specification inputs)))
+
+(define (main args)
+
+  (define packages
+    (map specification->package args))
+  (define inputs
+    (sort
+     (delete-duplicates
+      (apply append
+             (map (lambda (package)
+                    (unique-inputs
+                     (package-direct-inputs package)))
+                  packages)))
+     string<))
+  (define build-inputs
+    (sort
+     (delete-duplicates
+      (apply append
+             (map (lambda (package)
+                    (unique-inputs
+                     (bag-direct-inputs
+                      (package->bag package))))
+                  packages)))
+     string<))
+  (define closure
+    (sort
+     (delete-duplicates
+      (map package->specification
+           (package-closure packages)))
+     string<))
+
+  (format #t "Packages: ~d\n ~{ ~a~}\n"
+          (length packages)
+          (sort
+           (map package->specification packages)
+           string<))
+  (format #t "Package inputs: ~d packages\n ~{ ~a~}\n"
+          (length inputs)
+          inputs)
+  (format #t "Build inputs: ~d packages\n ~{ ~a~}\n"
+          (length build-inputs)
+          build-inputs)
+  (format #t "Package closure: ~d packages\n ~{ ~a~}\n"
+          (length closure)
+          closure))
+
+(main (cdr (command-line)))
-- 
2.22.0

Re: Proposal for a blog contribution on reproducible computations

[Ludovic Courtès]

Hello!

Konrad Hinsen <konrad.hinsen@fastmail.net> skribis:

>> You can post a patch against the guix-artwork.git repo here when you’re
>> ready.
>
> Here it comes !

Perfect, thanks!  I had to move files where Haunt expects them, and to
make the table pure ASCII because guile-commonmark doesn’t support HTML
nor tables, but here we are:

  https://guix.gnu.org/blog/2020/reproducible-computations-with-guix/
  https://hpc.guix.info/blog/2020/01/reproducible-computations-with-guix/

Spread the word!

Thank you, Konrad.

Ludo’.

Re: Proposal for a blog contribution on reproducible computations

[Konrad Hinsen]

Hi Ludo,

> Perfect, thanks!  I had to move files where Haunt expects them, and to
> make the table pure ASCII because guile-commonmark doesn’t support HTML
> nor tables, but here we are:
>
>   https://guix.gnu.org/blog/2020/reproducible-computations-with-guix/
>   https://hpc.guix.info/blog/2020/01/reproducible-computations-with-guix/

Looks good, thanks!

One problem though: the link to the script is broken:

  https://guix.gnu.org/blog/2020/reproducible-computations-with-guix/show-dependencies.scm

yield 404.

I had put it into the same directory as the Markdown file and the
images, apparently Haunt didn't like that either.

Cheers,
  Konrad.

Re: Proposal for a blog contribution on reproducible computations

[Ludovic Courtès]

Konrad Hinsen <konrad.hinsen@fastmail.net> skribis:

>> Perfect, thanks!  I had to move files where Haunt expects them, and to
>> make the table pure ASCII because guile-commonmark doesn’t support HTML
>> nor tables, but here we are:
>>
>>   https://guix.gnu.org/blog/2020/reproducible-computations-with-guix/
>>   https://hpc.guix.info/blog/2020/01/reproducible-computations-with-guix/
>
> Looks good, thanks!
>
> One problem though: the link to the script is broken:
>
>   https://guix.gnu.org/blog/2020/reproducible-computations-with-guix/show-dependencies.scm
>
> yield 404.

Oops, sorry about that!  Should be fixed now.

> I had put it into the same directory as the Markdown file and the
> images, apparently Haunt didn't like that either.

Yeah, it has to be in website/static.

Thanks,
Ludo’.

Re: Proposal for a blog contribution on reproducible computations

[Ludovic Courtès]

Another thing that comes to mind: would it make sense to mention ‘guix
graph’ in the part where you pipe the output of ‘guix show’ to ‘recsel’,
etc.?

Ludo’.

Re: Proposal for a blog contribution on reproducible computations

[Konrad Hinsen]

Ludovic Courtès <ludo@gnu.org> writes:

> Another thing that comes to mind: would it make sense to mention ‘guix
> graph’ in the part where you pipe the output of ‘guix show’ to ‘recsel’,
> etc.?

Forgot that one, sorry. Yes, it would make sense, though I'd place it a
bit later in the text. But I'd have to figure out first how how the
various options of "guix graph" relate exactly to what I am writing.

  ‘package’
       This is the default type used in the example above.  It shows the
       DAG of package objects, excluding implicit dependencies.  It is
       concise, but filters out many details.

Are "implicit dependencies" those added by the build system? If yes,
this edges in this graph would correspond to package-direct-inputs.

  ‘bag’
       Similar to ‘bag-emerged’, but this time including all the bootstrap
       dependencies.

And that is package-closure with arrows defined by bag-direct-inputs, right?

Cheers,
  Konrad.

Re: Proposal for a blog contribution on reproducible computations

[Ludovic Courtès]

Hi,

I had missed that message.

Konrad Hinsen <konrad.hinsen@fastmail.net> skribis:

> Ludovic Courtès <ludo@gnu.org> writes:
>
>> Another thing that comes to mind: would it make sense to mention ‘guix
>> graph’ in the part where you pipe the output of ‘guix show’ to ‘recsel’,
>> etc.?
>
> Forgot that one, sorry. Yes, it would make sense, though I'd place it a
> bit later in the text. But I'd have to figure out first how how the
> various options of "guix graph" relate exactly to what I am writing.
>
>   ‘package’
>        This is the default type used in the example above.  It shows the
>        DAG of package objects, excluding implicit dependencies.  It is
>        concise, but filters out many details.
>
> Are "implicit dependencies" those added by the build system? If yes,
> this edges in this graph would correspond to package-direct-inputs.

Exactly.

>   ‘bag’
>        Similar to ‘bag-emerged’, but this time including all the bootstrap
>        dependencies.
>
> And that is package-closure with arrows defined by bag-direct-inputs, right?

Yes.

Thanks,
Ludo’.

Re: Feedback from JRES in Dijon

[zimoun]

On Thu, 5 Dec 2019 at 15:43, Julien Lepiller <julien@lepiller.eu> wrote:

> So they are doing physical simulation (fluid dynamics), so they don't (can't) get the same result when running the same experiment twice. They wart replicability, that is, even if the results are different, they are close enough to each other that you have to draw the same scientific conclusion, independent of your compiler or other package inputs.

It is question for the Philosophy of Science. What is the status of error? ;-)

In the area of controlling the error, Interval Arithmetic [1] gives
interesting results.

[1] https://en.wikipedia.org/wiki/Interval_arithmetic


All the best,
simon

Re: Feedback from JRES in Dijon

[Julien Lepiller]

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I forgot to give you a link to the presentation. It's in French: https://replay.jres.org/videos/watch/c77b3a44-b75f-4c10-9f39-8fb55ae096d7

Also, Marc talked about jdev, another French conference where we could present Guix too: http://devlog.cnrs.fr/jdev2020

Le 5 décembre 2019 15:16:23 GMT+01:00, Julien Lepiller <julien@lepiller.eu> a écrit :
>Hi Guix!
>
>I presented the project at JRES yesterday and had lots of questions and
>reactions.
>
>One person was wondering whether Guix would be a good idea for there
>cluster. I said yes then I redirected them to guix hpc.
>
>Another wanted to have some kind of doi for guix describe + manifest (a
>better UI and easier thing to cite in a paper I suppose).
>
>Another was asking about the possibility ofusing Guix to have multiple
>kernels and boot a debian with guix's kernel (so as to choose a
>compatible kernel at boot iiuc).
>
>The person I talked to at lunch was a bit skeptical about Guix. They
>have it and Nix, with module on their cluster. They told me they were
>more concerned about replicability than reproducibility. Also, their
>users are lost between the options, they have trouble getting help on
>guix from their admins and they end up using conda, yet another tool
>^^".
>
>That's only a few conversations that really marked me, but I had more,
>and I'll hopefully have more this afternoon and tomorrow.
>
>Marc, who organised the guile and guix days in Strasbourg last summer
>is here too and said he will write a tutorial on using vin to program
>in scheme. I'm lookinq forward to reading it!

-- 
Envoyé de mon appareil Android avec Courriel K-9 Mail. Veuillez excuser ma brièveté.

[-- Attachment #2: Type: text/html, Size: 2041 bytes --]

Re: Feedback from JRES in Dijon

[zimoun]

Hi Julien,

Thank you for this report.

On Thu, 5 Dec 2019 at 15:25, Julien Lepiller <julien@lepiller.eu> wrote:

> Another wanted to have some kind of doi for guix describe + manifest (a better UI and easier thing to cite in a paper I suppose).

I agree that something is lacking. I was not thinking about DOI but I
was thinking a better UI similar to "git tag" to improve the current
situation. It is not exactly the question that you had but it seems
related, AFAIU. For example, it is hard to know which commit I need to
"guix pull" to have Python 3.6, if we have. I tried to start a
discussion in this topic there [1]. Another concrete example had been
asked here [2].

[1] https://lists.gnu.org/archive/html/guix-devel/2019-11/msg00513.html
[2] https://lists.gnu.org/archive/html/help-guix/2019-06/msg00098.html


> The person I talked to at lunch was a bit skeptical about Guix. They have it and Nix, with module on their cluster. They told me they were more concerned about replicability than reproducibility. Also, their users are lost between the options, they have trouble getting help on guix from their admins and they end up using conda, yet another tool ^^".

Bit-to-bit reproducibility is the first step to go to Replicability, IMHO.
For sure, Conda is a no-go for this goal, again IMHO. :-)
Modulefiles is loosing their time by re-doing what packagers are
doing; it is the dependency hell because they spend their time on
compiling libraries -- the code of interest depends on one lib which
depends on other lib which depends on... So it requires a lot of
manpower. Guix solves that elegantly IMO; considering channels.

And the big issue of replicability is floating point. The same binary
with the same inputs does not compute the same output. For example,
see page 13 of [3].

[3] https://jcad2019.sciencesconf.org/data/2019_JCAD_Repro_Hill_vf.pdf

Well I am not sure that a general solution can solve replicability...
and it is software by software.


Cheers,
simon

Re: Feedback from JRES in Dijon

[Ludovic Courtès]

Hi Julien,

Julien Lepiller <julien@lepiller.eu> skribis:

> I presented the project at JRES yesterday and had lots of questions
> and reactions.

Thanks for the nice talk and for sharing feedback!  It’s really great to
see how each one of us approaches it from a different angle, and I think
you chose the right one for this audience (mostly sysadmins).

(The install/remove example on the first slide is of course
questionable, but the rest is great.  ;-))

> One person was wondering whether Guix would be a good idea for there
> cluster. I said yes then I redirected them to guix hpc.

Neat, I hope we’ll hear from them.  :-)

> Another wanted to have some kind of doi for guix describe + manifest
> (a better UI and easier thing to cite in a paper I suppose).

I guess a single Git commit ID or, better, a Software Heritage intrinsic
ID could fit the bill.

> Another was asking about the possibility ofusing Guix to have multiple
> kernels and boot a debian with guix's kernel (so as to choose a
> compatible kernel at boot iiuc).

Uh, an unusual use case.

> The person I talked to at lunch was a bit skeptical about Guix. They
> have it and Nix, with module on their cluster. They told me they were
> more concerned about replicability than reproducibility. Also, their
> users are lost between the options, they have trouble getting help on
> guix from their admins and they end up using conda, yet another tool
> ^^".

Ah well, there’s a learning curve.  Now, my hope is that people who
manage to do “conda install” would also manage to get started with “guix
install”.  But that’s more and more of a social issue (spreading the
word) than a technical one, I think.

Anyway, nice work!  If you want we can have the PDF of your talk (and
the article you wrote at
<https://conf-ng.jres.org/2019/document_revision_5343.html?download>!)
on the web site, perhaps with a tiny blog post giving some context.

Thanks,
Ludo’.

PS: I also got positive feedback from a colleague who attended your
    talk.  :-)