Bug 502621 (libint) - Review Request: libint - A library that evaluates integrals over Gaussian basis functions
Summary: Review Request: libint - A library that evaluates integrals over Gaussian bas...
Keywords:
Status: CLOSED ERRATA
Alias: libint
Product: Fedora
Classification: Fedora
Component: Package Review
Version: rawhide
Hardware: All
OS: Linux
medium
medium
Target Milestone: ---
Assignee: Jason Tibbitts
QA Contact: Fedora Extras Quality Assurance
URL:
Whiteboard:
Depends On:
Blocks:
TreeView+ depends on / blocked
 
Reported: 2009-05-26 14:10 UTC by Susi Lehtola
Modified: 2014-09-02 12:25 UTC (History)
2 users (show)

Fixed In Version: 1.1.4-1.fc11
Doc Type: Bug Fix
Doc Text:
Clone Of:
Environment:
Last Closed: 2009-07-03 19:41:14 UTC
Type: ---
Embargoed:
j: fedora-review+
gwync: fedora-cvs+


Attachments (Terms of Use)

Description Susi Lehtola 2009-05-26 14:10:45 UTC
Spec URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint.spec

SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint-1.1.4-1.fc10.src.rpm

Description:
Libint library is used to evaluate the traditional (electron repulsion) and
certain novel two-body matrix elements (integrals) over Cartesian Gaussian
functions used in modern atomic and molecular theory. The idea of the library
is to let computer write optimized code for computing such integrals. There
are two primary advantages to this: much less human effort is required to
write code for computing new integrals, and code can be optimized specifically
for a particular computer architecture (e.g., vector processor).

Libint has been utilized to implement methods such as Hartree-Fock (HF) and
Kohn-Sham density functional theory (KS DFT), second-order Moller-Plesset
perturbation theory (MP2), coupled cluster singles and doubles (CCSD)
method, as well as explicitly correlated R12 methods.


rpmlint output is clean.

Comment 1 Jason Tibbitts 2009-06-03 22:11:54 UTC
FYI, I get 78 rpmlint complaints: 75 undefined-non-weak-symbol complaints and three unused-direct-shlib-dependency complaints (on libm).  You only get these if you install the package and then run "rpmlint libint".

The undefined-non-weak-symbol warnings are in two libraries: libr12-stable.so.1.0.0 and libderiv-stable.so.1.0.0.  It looks like these refer to symbols in libint-stable.so and you're supposed to be sure to link against the proper libraries yourself.  Which is bad form, but doesn't block this package.

The URL gives "403 Forbidden".  I would recommend http://www.files.chem.vt.edu/chem-dept/valeev/software/libint/libint.html or http://libint.valeyev.net/.

None of the source files has any license info at all.  The LICENSE file includes the block of text which should be at the top of every source file, and there's no copy of the GPL in sight.  The text in the LICENSE file is sufficient to establish that the package is GPLv2+, but upstream is most definitely doing it wrong.

It's somewhat surprising that there's no test suite.

* source files match upstream.  sha256sum:
   f67b13bdf1135ecc93b4cff961c1ff33614d9f8409726ddc8451803776885cff  
   libint-1.1.4.tar.gz
* package meets naming and versioning guidelines.
* specfile is properly named, is cleanly written and uses macros consistently.
* summary is OK.
* description is OK.
* dist tag is present.
* build root is OK.
* license field matches the actual license.
* license is open source-compatible.
* license text not included upstream.
* latest version is being packaged.
* BuildRequires are proper.
* compiler flags are appropriate.
* %clean is present.
* package builds in mock (rawhide, x86_64).
* package installs properly.
* debuginfo package looks complete.
* rpmlint has acceptable complaints.
* final provides and requires are sane:
  libint-1.1.4-1.fc11.x86_64.rpm
   libderiv-stable.so.1()(64bit)
   libint-stable.so.1()(64bit)
   libr12-stable.so.1()(64bit)
   libint = 1.1.4-1.fc11
   libint(x86-64) = 1.1.4-1.fc11
  =
   /sbin/ldconfig
   libderiv-stable.so.1()(64bit)
   libgcc_s.so.1()(64bit)
   libint-stable.so.1()(64bit)
   libr12-stable.so.1()(64bit)
   libstdc++.so.6()(64bit)
   libstdc++.so.6(CXXABI_1.3)(64bit)

  libint-devel-1.1.4-1.fc11.x86_64.rpm
   libint-devel = 1.1.4-1.fc11
   libint-devel(x86-64) = 1.1.4-1.fc11
  =
   libderiv-stable.so.1()(64bit)
   libint = 1.1.4-1.fc11
   libint-stable.so.1()(64bit)
   libr12-stable.so.1()(64bit)

* %check is not present; no test suite upstream.
* shared libraries installed;
   ldconfig is called properly
   unversioned .so links are in the -devel package.
* owns the directories it creates.
* doesn't own any directories it shouldn't.
* no duplicates in %files.
* file permissions are appropriate.
* no generically named files.
* scriptlets are OK (ldconfig).
* code, not content.
* %docs are not necessary for the proper functioning of the package.
* headers are in the -devel package.
* no static libraries.
* no libtool .la files.

APPROVED

Comment 2 Susi Lehtola 2009-06-04 06:54:55 UTC
Thanks for the review!

New Package CVS Request
=======================
Package Name: libint
Short Description: A library that evaluates integrals over Gaussian basis functions
Owners: jussilehtola
Branches: F-10 F-11
InitialCC:

Comment 3 Jason Tibbitts 2009-06-04 22:22:44 UTC
CVS done.  Don't forget to fix up the URL.

Comment 4 Fedora Update System 2009-06-05 09:48:01 UTC
libint-1.1.4-1.fc10 has been submitted as an update for Fedora 10.
http://admin.fedoraproject.org/updates/libint-1.1.4-1.fc10

Comment 5 Fedora Update System 2009-06-05 09:50:15 UTC
libint-1.1.4-1.fc11 has been submitted as an update for Fedora 11.
http://admin.fedoraproject.org/updates/libint-1.1.4-1.fc11

Comment 6 Fedora Update System 2009-06-16 01:27:38 UTC
libint-1.1.4-1.fc10 has been pushed to the Fedora 10 testing repository.  If problems still persist, please make note of it in this bug report.
 If you want to test the update, you can install it with 
 su -c 'yum --enablerepo=updates-testing update libint'.  You can provide feedback for this update here: http://admin.fedoraproject.org/updates/F10/FEDORA-2009-6016

Comment 7 Fedora Update System 2009-06-16 02:27:16 UTC
libint-1.1.4-1.fc11 has been pushed to the Fedora 11 testing repository.  If problems still persist, please make note of it in this bug report.
 If you want to test the update, you can install it with 
 su -c 'yum --enablerepo=updates-testing update libint'.  You can provide feedback for this update here: http://admin.fedoraproject.org/updates/F11/FEDORA-2009-6393

Comment 8 Fedora Update System 2009-07-03 19:41:09 UTC
libint-1.1.4-1.fc10 has been pushed to the Fedora 10 stable repository.  If problems still persist, please make note of it in this bug report.

Comment 9 Fedora Update System 2009-07-03 19:41:21 UTC
libint-1.1.4-1.fc11 has been pushed to the Fedora 11 stable repository.  If problems still persist, please make note of it in this bug report.

Comment 10 Susi Lehtola 2011-01-22 00:29:10 UTC
Package Change Request
======================
Package Name: libint
New Branches: el5 el6
Owners: jussilehtola
InitialCC:

Comment 11 Jason Tibbitts 2011-01-22 15:49:10 UTC
Git done (by process-git-requests).

Comment 12 Susi Lehtola 2014-08-29 20:46:41 UTC
Package Change Request
======================
Package Name: libint
New Branches: epel7
Owners: jussilehtola

Comment 13 Gwyn Ciesla 2014-09-02 12:25:47 UTC
Git done (by process-git-requests).


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