[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #9 from Susi Lehtola  ---
Added BR and R on numpy.

http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.5.b5.fc19.src.rpm

Successful koji build
http://koji.fedoraproject.org/koji/taskinfo?taskID=6316592

Eric, could you finishe the review?

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-20 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #10 from Eric Smith  ---
fedora-review gets a 404 trying to download your source RPM. Looks like it
should be fc20:

http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.5.b5.fc20.src.rpm

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-20 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #11 from Eric Smith  ---
Issues:
* Subpackages don't have versioned dependencies
* COPYING isn't in the main package %files
* License tag may need to include zlib/libpng
* Static libraries should be in -static subpackage
* I think there may be a problem with versioned vs unversioned doc dirs.
  You may need to include the macro
%{!?_pkgdocdir: %global _pkgdocdir %{_docdir}/%{name}-%{version}}
  and use that variable rather than %{_docdir}

Full review:

Package Review
==

Legend:
[x] = Pass, [!] = Fail, [-] = Not applicable, [?] = Not evaluated
[ ] = Manual review needed


Issues:
===
- Static libraries in -static subpackage, if present.
  Note: Archive *.a files found in psi4-devel
  See: http://fedoraproject.org/wiki/Packaging/Guidelines#StaticLibraries


= MUST items =

C/C++:
[x]: Package does not contain kernel modules.
[x]: Package contains no static executables.
[x]: Header files in -devel subpackage, if present.
[x]: Package does not contain any libtool archives (.la)
[x]: Rpath absent or only used for internal libs.

Generic:
[x]: Package is licensed with an open-source compatible license and meets
 other legal requirements as defined in the legal section of Packaging
 Guidelines.
[x]: %build honors applicable compiler flags or justifies otherwise.
[x]: Package contains no bundled libraries without FPC exception.
[x]: Changelog in prescribed format.
[x]: Sources contain only permissible code or content.
[x]: Package contains desktop file if it is a GUI application.
[x]: Development files must be in a -devel package
[-]: Package requires other packages for directories it uses.
[x]: Package uses nothing in %doc for runtime.
[x]: Package is not known to require ExcludeArch.
[!]: Fully versioned dependency in subpackages, if present.
 Note: No Requires: %{name}%{?_isa} = %{version}-%{release} in psi4-data ,
 psi4-devel , psi4-doc
[x]: Package complies to the Packaging Guidelines
[!]: 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 is included in %doc.
[!]: License field in the package spec file matches the actual license.
 Note: Checking patched sources after %prep for licenses. Licenses found:
 "GPL (v2 or later)", "GPL (v2 or later) LGPL (v2 or later)", "Unknown or
 generated", "*No copyright* zlib/libpng", "zlib/libpng", "MIT/X11 (BSD
 like)", "GPL (v2 or later) (with incorrect FSF address)", "GPL (v2 or
 later) (with incorrect FSF address) LGPL (v2 or later) (with incorrect
 FSF address)", "*No copyright* GPL (v2 or later)". 346 files have unknown
 license. Detailed output of licensecheck in
 /home/eric/951582-psi4/licensecheck.txt
[!]: License file installed when any subpackage combination is installed.
[x]: Package consistently uses macro is (instead of hard-coded directory
 names).
[!]: If the package is under multiple licenses, the licensing breakdown must
 be documented in the spec.
[x]: Package is named according to the Package Naming Guidelines.
[x]: Package does not generate any conflict.
[x]: Package obeys FHS, except libexecdir and /usr/target.
[-]: If the package is a rename of another package, proper Obsoletes and
 Provides are present.
[x]: Package must own all directories that it creates.
[x]: Package does not own files or directories owned by other packages.
[x]: Requires correct, justified where necessary.
[x]: Spec file is legible and written in American English.
[-]: Package contains systemd file(s) if in need.
[x]: Useful -debuginfo package or justification otherwise.
[x]: All build dependencies are listed in BuildRequires, except for any that
 are listed in the exceptions section of Packaging Guidelines.
[x]: Package does not run rm -rf %{buildroot} (or $RPM_BUILD_ROOT) at the
 beginning of %install.
[x]: Each %files section contains %defattr if rpm < 4.4
[x]: Macros in Summary, %description expandable at SRPM build time.
[x]: Package does not contain duplicates in %files.
[x]: Permissions on files are set properly.
[x]: Package use %makeinstall only when make install' ' DESTDIR=... doesn't
 work.
[x]: Package is named using only allowed ASCII characters.
[x]: Package do not use a name that already exist
[x]: Package is not relocatable.
[x]: Sources used to build the package match the upstream source, as provided
 in the spec URL.
[x]: Spec file name must match the spec package %{name}, in the format
 %{name}.spec.
[x]: File names are valid UTF-8.
[x]: Large documentation must go in a -doc subpackage.
 Note: Documentation size is 0 bytes in 0 files.
[x]: Packages must not store files under /srv, /opt or /usr/local
[x]: Package successfully compiles and builds into binary rpms on at least one
 supported primary architecture.
[x]: Package installs properly.
[x]: Rpmlint is run on al

[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-21 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #12 from Susi Lehtola  ---
(In reply to Eric Smith from comment #11)
> Issues:
> * Subpackages don't have versioned dependencies
> [!]: Fully versioned dependency in subpackages, if present.
>  Note: No Requires: %{name}%{?_isa} = %{version}-%{release} in psi4-data

This is a false positive. psi4-data doesn't need the main package.

https://fedoraproject.org/wiki/Packaging:Guidelines?rd=Packaging/Guidelines#Requiring_Base_Package

> * COPYING isn't in the main package %files

Added LICENSE and COPYING to %doc of all independent packages.

> * License tag may need to include zlib/libpng

This was in a bundled tinyxml library in the bundled madness package.
I now remove the bundled madness altogether in %prep.

> * Static libraries should be in -static subpackage

This package only has static libraries, so the virtual Provides: in the -devel
package is OK.
https://fedoraproject.org/wiki/Packaging:Guidelines?rd=Packaging/Guidelines#Packaging_Static_Libraries_2

> * I think there may be a problem with versioned vs unversioned doc dirs.
>   You may need to include the macro
> %{!?_pkgdocdir: %global _pkgdocdir %{_docdir}/%{name}-%{version}}
>   and use that variable rather than %{_docdir}

Well, it builds in rawhide and has a unversioned docdir there, so I don't think
this is an issue.


http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.6.b5.fc20.src.rpm

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-23 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #13 from Eric Smith  ---
> This is a false positive. psi4-data doesn't need the main package.

What license covers the files in psi4-data?

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-24 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #14 from Susi Lehtola  ---
(In reply to Eric Smith from comment #13)
> What license covers the files in psi4-data?

A good question. Added LICENSE and COPYING to psi4-data as well.
Anything else?

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-24 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Eric Smith  changed:

   What|Removed |Added

  Flags|fedora-review?  |fedora-review+



--- Comment #15 from Eric Smith  ---
That's it.  With the addition of LICENSE and COPYING to -data, the package is
APPROVED.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-24 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Susi Lehtola  changed:

   What|Removed |Added

  Flags||fedora-cvs?



--- Comment #16 from Susi Lehtola  ---
New Package SCM Request
===
Package Name: psi4
Short Description: An ab initio quantum chemistry package
Owners: jussilehtola
Branches: f19 f20
InitialCC:

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-24 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #17 from Susi Lehtola  ---
Thanks for the review! Final spec and srpm

http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.7.b5.fc20.src.rpm

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-26 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Jens Petersen  changed:

   What|Removed |Added

  Flags|fedora-cvs? |fedora-cvs+



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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-26 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #18 from Jens Petersen  ---
Git done (by process-git-requests).

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-27 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #19 from Fedora Update System  ---
psi4-4.0-0.8.b5.fc19 has been submitted as an update for Fedora 19.
https://admin.fedoraproject.org/updates/psi4-4.0-0.8.b5.fc19

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-27 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #20 from Fedora Update System  ---
psi4-4.0-0.8.b5.fc20 has been submitted as an update for Fedora 20.
https://admin.fedoraproject.org/updates/psi4-4.0-0.8.b5.fc20

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-27 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Fedora Update System  changed:

   What|Removed |Added

 Status|ASSIGNED|MODIFIED



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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-12-27 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Fedora Update System  changed:

   What|Removed |Added

 Status|MODIFIED|ON_QA



--- Comment #21 from Fedora Update System  ---
psi4-4.0-0.8.b5.fc19 has been pushed to the Fedora 19 testing repository.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2014-01-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Michael Schwendt  changed:

   What|Removed |Added

 Depends On||1048482




Referenced Bugs:

https://bugzilla.redhat.com/show_bug.cgi?id=1048482
[Bug 1048482] psi4 : does not adhere to Static Library Packaging Guidelines
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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2014-01-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #22 from Michael Schwendt  ---
Since the -static Provides are only for BuildRequires and tracking usage of
static libs, they cannot be arch-specific using %?_isa. It would be
"BuildRequires: psi4-static" in other packages.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2014-01-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Bug 951582 depends on bug 1048482, which changed state.

Bug 1048482 Summary: psi4 : does not adhere to Static Library Packaging 
Guidelines
https://bugzilla.redhat.com/show_bug.cgi?id=1048482

   What|Removed |Added

 Status|NEW |CLOSED
 Resolution|--- |RAWHIDE



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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2014-01-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #23 from Susi Lehtola  ---
Ugh, right, the provide doesn't do both. Fixed in rawhide.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2014-01-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Fedora Update System  changed:

   What|Removed |Added

 Status|ON_QA   |CLOSED
   Fixed In Version||psi4-4.0-0.8.b5.fc19
 Resolution|--- |ERRATA
Last Closed||2014-01-05 01:01:19



--- Comment #24 from Fedora Update System  ---
psi4-4.0-0.8.b5.fc19 has been pushed to the Fedora 19 stable repository.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2014-01-04 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Fedora Update System  changed:

   What|Removed |Added

   Fixed In Version|psi4-4.0-0.8.b5.fc19|psi4-4.0-0.8.b5.fc20



--- Comment #25 from Fedora Update System  ---
psi4-4.0-0.8.b5.fc20 has been pushed to the Fedora 20 stable repository.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-08-16 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=951582



--- Comment #8 from Susi Lehtola  ---
Oh, looks like the new beta was released a month ago... i.e., a lot later than
the week or two I was told in May :P

This one builds on F19 and rawhide.

http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.4.b5.fc19.src.rpm

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-04-12 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Susi Lehtola  changed:

   What|Removed |Added

  Alias||psi4

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-04-28 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Eric Smith  changed:

   What|Removed |Added

 Status|NEW |ASSIGNED
 CC||e...@brouhaha.com
   Assignee|nob...@fedoraproject.org|e...@brouhaha.com

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-04-29 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

Eric Smith  changed:

   What|Removed |Added

  Flags||fedora-review?

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-04-29 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #1 from Eric Smith  ---
License tag needs "and MIT" for /usr/share/psi/python/pep8.py
/usr/share/psi/python/pep8.py permissions wrong, should be executable?
Need versioned dependencies in subpackages
Have you queried upstream about including a license text file?
Need to upstream Patch2, or document why it shouldn't be

Unless intending to support RHEL5:
  remove BuildRoot tag
  remove rm -rf %{buildroot} from %install section
  remove %defattr
  remove %clean section

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-04-30 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #2 from Susi Lehtola  ---
(In reply to comment #1)
> License tag needs "and MIT" for /usr/share/psi/python/pep8.py

- Fixed.

> /usr/share/psi/python/pep8.py permissions wrong, should be executable?

I've fixed this in the upstream repo, the file shouldn't have a shebang.

> Need versioned dependencies in subpackages

Nope - since the package only contains static libraries, the devel package
doesn't require the base package.

The only relevant dependency is of the base package on -data, which is properly
versioned.

> Have you queried upstream about including a license text file?

Yes, I've filed a bug upstream about missing license headers and a license
file. I've also added a license text file in the upstream repo.

> Need to upstream Patch2, or document why it shouldn't be

I've already applied this upstream.

> Unless intending to support RHEL5:
>   remove BuildRoot tag
>   remove rm -rf %{buildroot} from %install section
>   remove %defattr
>   remove %clean section

Well, these don't hurt... but considering that the package anyway requires a
recent version of Boost, I've dropped these.

http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.2.b4.fc18.src.rpm

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-05-02 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #3 from Eric Smith  ---
Shouldn't the BuildRequires be python2-devel or python3-devel, rather than just
python-devel?

Could patch the pep8.py to avoid error, and drop patch when new upstream is
used.

Is it necessary to have zero-length /usr/include/psi4/libyeti/dataimpl.h? 
Could be removed or changed upstream?

The GPL-ish license is LGPLv2+, not GPLv2+?

Koji scratch build for i686 on rawhide failed:
http://koji.fedoraproject.org/koji/taskinfo?taskID=5326229

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-05-02 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #4 from Susi Lehtola  ---
(In reply to comment #3)
> Shouldn't the BuildRequires be python2-devel or python3-devel, rather than
> just python-devel?

You're right, changed.

> Could patch the pep8.py to avoid error, and drop patch when new upstream is
> used.
>
> Is it necessary to have zero-length /usr/include/psi4/libyeti/dataimpl.h? 
> Could be removed or changed upstream?
> 
> The GPL-ish license is LGPLv2+, not GPLv2+?

For these issues I'm going to wait until upstream makes the next release (I'm
told it will be next week). The license of the program is GPLv2+.

> Koji scratch build for i686 on rawhide failed:
> http://koji.fedoraproject.org/koji/taskinfo?taskID=5326229

Reported upstream. Probably caused by gcc 4.8.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-05-03 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #5 from Eric Smith  ---
Licensecheck reports LGPLv2+ for a bunch of source files in src/lib/libmints. 
Maybe needs to be "GPLv2+ and LGPLv2+ and MIT".

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-05-03 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #6 from Susi Lehtola  ---
(In reply to comment #5)
> Licensecheck reports LGPLv2+ for a bunch of source files in
> src/lib/libmints.  Maybe needs to be "GPLv2+ and LGPLv2+ and MIT".

.. but GPLv2+ is compatible with LGPLv2+ and the license tag is the license of
the resulting binary, which will be GPLv2+.

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[Bug 951582] Review Request: psi4 - An ab initio quantum chemistry package

2013-05-03 Thread bugzilla
Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

--- Comment #7 from Eric Smith  ---
OK.  Just waiting on something that will build on rawhide to complete the
review.

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