[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2013-10-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=760645

Björn besser82 Esser bjoern.es...@gmail.com changed:

   What|Removed |Added

 Blocks|177841 (FE-NEEDSPONSOR) |




Referenced Bugs:

https://bugzilla.redhat.com/show_bug.cgi?id=177841
[Bug 177841] Tracker: Review requests from new Fedora packagers who need a
sponsor
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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-07-05 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=760645

Jussi Lehtola jussi.leht...@iki.fi changed:

   What|Removed |Added

 Status|NEW |CLOSED
 Resolution|--- |DUPLICATE
Last Closed||2012-07-05 07:56:51

--- Comment #18 from Jussi Lehtola jussi.leht...@iki.fi ---
Closing as duplicate.

*** This bug has been marked as a duplicate of bug 837816 ***

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-07-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #16 from Jussi Lehtola jussi.leht...@iki.fi ---
No. If no-one disagrees, I'll close this bug and open one with my own spec
file.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-07-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #17 from Jason Tibbitts ti...@math.uh.edu ---
Don't see why know.  Fabien can always co-maintain if he wishes.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-07-03 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=760645

Jason Tibbitts ti...@math.uh.edu changed:

   What|Removed |Added

 CC||ti...@math.uh.edu

--- Comment #15 from Jason Tibbitts ti...@math.uh.edu ---
Did anything ever happen here?

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-01-09 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #12 from Jussi Lehtola jussi.leht...@iki.fi 2012-01-09 05:08:35 
EST ---
Ping Fabien? Any progress on the incorporation?

**

I am willing to sponsor you if you show me your knowing of the Fedora
guidelines, most importantly
 http://fedoraproject.org/wiki/Packaging/Guidelines
 http://fedoraproject.org/wiki/Packaging/ReviewGuidelines
In addition to the Packaging Guidelines, there are a bunch of language /
application specific guidelines that are linked to in the Packaging Guidelines.

Here are some tricks of the trade:
http://fedoraproject.org/wiki/Packaging_tricks
http://fedoraproject.org/wiki/Packaging/ScriptletSnippets
http://fedoraproject.org/wiki/Common_Rpmlint_issues

I will sponsor you if you have at least one other submission and perform a
couple of informal reviews of packages of other people.

Please review only packages *not* marked with FE-NEEDSPONSOR. I will have to do
the full formal review after you to check that you have got everything
correctly. Once I have sponsored you you will be able to do formal reviews of
your own.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-01-09 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #13 from Fabien Archambault marbolan...@gmail.com 2012-01-09 
05:42:24 EST ---
Hi Jussi,

I replied by email to your proposition to integrate your spec and I believe it
should be faster to do it with your spec. If needed I can close this bug and
you can open yours.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2012-01-09 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #14 from Jussi Lehtola jussi.leht...@iki.fi 2012-01-09 06:59:33 
EST ---
You can use my spec. But someone else will then have to review this bug.

I can sponsor you in any case, provided you make another submission and perform
some informal reviews.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-15 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #11 from Fabien Archambault marbolan...@gmail.com 2011-12-15 
03:11:06 EST ---
About psi3 I do not believe there is s much to do. You can see at
ftp://dedimarbo.ath.cx/pub/repo/srpms/psicode-3.4.0-1.fc16.src.rpm that the
src.rpm is nearly optimal. I just have problems with manpages and you have to
consider that I made other updates that are not yet pushed in my ftp.
I did not find bundled libraries, perhaps will I have to look further into it.
I know psi4 will be released soon but it is nearly 4 months they say it...

I have yet no other submissions but I have some ideas on other software that
could probably be added. I did not try to make the SRPM yet.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-13 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #9 from Fabien Archambault marbolan...@gmail.com 2011-12-13 
04:02:17 EST ---
Hello,

Sorry for the delay to answer.

@Jussi Lehtola: I will take a look at your spec version to see if there are
some things I can add or modify.
Concerning my use of ergo, I was asked to compile it on a cluster where users
will have to use it so I will have to follow updates and improvements in the
package. If your question was about following the package.
Using it on the computer is not yet an objective for me but I have some
colleagues who should be interested to install it on there computer to run some
small single points before going to cluster or smp calculations.
I know this is a very specific package but it is at the same level as mpqc or
cp2k which are already within the repositories. I believe adding it to Fedora
and CentOS is a way for such a package to be found and used.

For the sponsoring, I made one informal review (see:
https://bugzilla.redhat.com/show_bug.cgi?id=760897). It was an easy, I will
make another one soon.
I am also working on another package (psicode also named psi3) still related to
quantum chemistry but I have an issue with upstream not replying to my
emails...

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-13 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #10 from Jussi Lehtola jussi.leht...@iki.fi 2011-12-13 05:13:49 
EST ---
I wouldn't bother with psi3, since it isn't really maintained by upstream, and
needs *lots* of work to get rid of all of the bundled libraries. Psi4 should be
out in a couple of months, so I'm waiting for that. [And the name of the
package is just psi; although rather unfortunately there is already a package
in Fedora with that name].

Do you have any other submissions at the moment?

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-08 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

Jussi Lehtola jussi.leht...@iki.fi changed:

   What|Removed |Added

 CC||jussi.leht...@iki.fi

--- Comment #7 from Jussi Lehtola jussi.leht...@iki.fi 2011-12-08 15:42:11 
EST ---
FYI, I did some work on this package in the summer, and got upstream to fix a
bunch of review blockers in the package (IIRC including license boilerplates
that were missing).

However I did not submit it into review as I was not sure if it would have any
use, since the program quite specialized. Anyway, the spec file I created
(should comply to all Fedora standards) is available at
http://theory.physics.helsinki.fi/~jzlehtol/rpms/ergo.spec

Fabien: do you use ErgoSCF yourself?

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-08 Thread bugzilla
Please do not reply directly to this email. All additional
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #8 from Jussi Lehtola jussi.leht...@iki.fi 2011-12-08 15:49:06 
EST ---
Also, I might be interested in sponsoring you. It'd be nice to have some help
in managing scientific software in Fedora.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-07 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

Terje Røsten terje...@phys.ntnu.no changed:

   What|Removed |Added

 CC||terje...@phys.ntnu.no

--- Comment #4 from Terje Røsten terje...@phys.ntnu.no 2011-12-07 12:43:48 
EST ---
Nice work! 

Could you please create a FAS account and provide link to koji scratch build
too?

Some help here: 

 http://fedoraproject.org/wiki/Using_the_Koji_build_system#Scratch_Builds

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-07 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #2 from Fabien Archambault marbolan...@gmail.com 2011-12-07 
11:48:22 EST ---
Hi,

Thank you for this informal review.

 Are you sure that this is the GPLv3+ version?
I know within the website it is only GPL but the COPYING file is GPLv3+. I was
helped by someone who is already an approved Fedora packager to pinpoint the
right license.

Concerning the man-pages as I stated in my initial message, I am already in
touch with the developers and they are going to build one for the next version
(due in a short amount of time).

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-07 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #5 from Fabien Archambault marbolan...@gmail.com 2011-12-07 
13:43:17 EST ---
Hi,

I have build against F17 the rpms in koji:
- http://koji.fedoraproject.org/koji/taskinfo?taskID=3572928

Also for Epel6:
- http://koji.fedoraproject.org/koji/taskinfo?taskID=3572936

Do I need to build it against F16?

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-07 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #3 from Mohamed El Morabity pikachu.2...@gmail.com 2011-12-07 
12:05:03 EST ---
(In reply to comment #1)
 Are you sure that this is the GPLv3+ version? The project site states only GPL
 without proper versioning, so you probably need to clarify it.
Each source file refer to the GPLv3 or more in its comments.

 And it seems that except man-pages and small license question, the package 
 fits
 all the guidelines. Hope to see it soon in the repos.
Man pages are not mandatory, it's up to upstream developers, it's not a blocker
for a review.

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-07 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

--- Comment #6 from Terje Røsten terje...@phys.ntnu.no 2011-12-07 16:03:34 
EST ---
Very nice, F16 build not needed, thanks!

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-06 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

Mohamed El Morabity pikachu.2...@gmail.com changed:

   What|Removed |Added

 CC||pikachu.2...@gmail.com
 Blocks||177841(FE-NEEDSPONSOR)

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[Bug 760645] Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations

2011-12-06 Thread bugzilla
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https://bugzilla.redhat.com/show_bug.cgi?id=760645

Aleksandra Bookwar al...@bookwar.info changed:

   What|Removed |Added

 CC||al...@bookwar.info

--- Comment #1 from Aleksandra Bookwar al...@bookwar.info 2011-12-06 18:25:27 
EST ---
Hi, I am not a packager yet, so this is just informal review.

+ rpmlint must be run on the source rpm and all binary rpms the build produces. 
Except false spelling alarm no errors:
$ rpmlint ergo
   ergo.x86_64: W: no-manual-page-for-binary bin2m
   ergo.x86_64: W: no-manual-page-for-binary ergo
1 packages and 0 specfiles checked; 0 errors, 5 warnings.
$ rpmlint ergo-debuginfo
1 packages and 0 specfiles checked; 0 errors, 0 warnings.
$ rpmlint ergo-3.1-1.fc16.src.rpm 
1 packages and 0 specfiles checked; 0 errors, 3 warnings.

+ The package must be named according to the Package Naming Guidelines .

There is alt-ergo package in Fedora repositories, but there are no conflicts
in filenames or libs.

+ The spec file name must match the base package %{name}, in the format
%{name}.spec unless your package has an exemption.
+ The package must meet the Packaging Guidelines .
+ The package must be licensed with a Fedora approved license and meet the
Licensing Guidelines .
+ The License field in the package spec file must match the actual license.

Are you sure that this is the GPLv3+ version? The project site states only GPL
without proper versioning, so you probably need to clarify it.

+ If (and only if) the source package includes the text of the license(s) in
its own file, then that file, containing the text of the license(s) for the
package must be included in %doc.
+ The spec file must be written in American English.
+ The spec file for the package MUST be legible.
+ The sources used to build the package must match the upstream source, as
provided in the spec URL.
+ The package MUST successfully compile and build into binary rpms on at least
one primary architecture.
+ All build dependencies must be listed in BuildRequires, except for any that
are listed in the exceptions section of the Packaging Guidelines ; inclusion of
those as BuildRequires is optional.
* The spec file MUST handle locales properly.
* Every binary RPM package (or subpackage) which stores shared library files
(not just symlinks) in any of the dynamic linker's default paths, must call
ldconfig in %post and %postun.
+ Packages must NOT bundle copies of system libraries.
* If the package is designed to be relocatable, the packager must state this
fact in the request for review, along with the rationalization for relocation
of that specific package.
+ A package must own all directories that it creates.
+ A Fedora package must not list a file more than once in the spec file's
%files listings.
+ Permissions on files must be set properly. Executables should be set with
executable permissions, for example.
+ Each package must consistently use macros.
+ The package must contain code, or permissable content.
* Large documentation files must go in a -doc subpackage.
+ If a package includes something as %doc, it must not affect the runtime of
the application.
* Header files must be in a -devel package.
* Static libraries must be in a -static package.
* If a package contains library files with a suffix (e.g. libfoo.so.1.1), then
library files that end in .so (without suffix) must go in a -devel package.
* In the vast majority of cases, devel packages must require the base package
using a fully versioned dependency: Requires: %{name}%{?_isa} =
%{version}-%{release}
+ Packages must NOT contain any .la libtool archives, these must be removed in
the spec if they are built.
* Packages containing GUI applications must include a %{name}.desktop file, and
that file must be properly installed with desktop-file-install in the %install
section.
+ Packages must not own files or directories already owned by other packages.
+ All filenames in rpm packages must be valid UTF-8.

* If the source package does not include license text(s) as a separate file
from upstream, the packager SHOULD query upstream to include it.
* The description and summary sections in the package spec file should contain
translations for supported Non-English languages, if available.
+ package builds in mock.
+ The package should compile and build into binary rpms on all supported
architectures.
+ functions as described in tutorial
+ If scriptlets are used, those scriptlets must be sane.
* Usually, subpackages other than devel should require the base package using a
fully versioned dependency.
* The placement of pkgconfig(.pc) files depends on their usecase, and this is
usually for development purposes, so should be placed in a -devel pkg.
* If the package has file dependencies outside of /etc,