Bug 542760 - Review Request: mopac7 - Semi-empirical quantum mechanics suite
Summary: Review Request: mopac7 - Semi-empirical quantum mechanics suite
Keywords:
Status: CLOSED ERRATA
Alias: None
Product: Fedora
Classification: Fedora
Component: Package Review
Version: rawhide
Hardware: All
OS: Linux
medium
medium
Target Milestone: ---
Assignee: Susi Lehtola
QA Contact: Fedora Extras Quality Assurance
URL:
Whiteboard:
Depends On: 542740
Blocks: 542765 542767
TreeView+ depends on / blocked
 
Reported: 2009-11-30 18:09 UTC by Carl Byington
Modified: 2010-01-12 23:34 UTC (History)
3 users (show)

Fixed In Version: 1.15-8.fc12
Doc Type: Bug Fix
Doc Text:
Clone Of:
Environment:
Last Closed: 2010-01-12 23:26:49 UTC
Type: ---
Embargoed:
susi.lehtola: fedora-review+
kevin: fedora-cvs+


Attachments (Terms of Use)

Description Carl Byington 2009-11-30 18:09:21 UTC
Spec URL: http://www.five-ten-sg.com/mopac7.spec
SRPM URL: http://www.five-ten-sg.com/mopac7-1.15-1.fc12.src.rpm
Description: 
MOPAC7 is a semi-empirical quantum-mechanics code written by James J. P.
Stewart and co-workers. The purpose of this project is to maintain MOPAC7 as
a stand-alone program as well as a library that provides the functionality
of MOPAC7 to other programs.

no scratch build yet, since this depends on f2c


This is part of my project to get ghemical and its dependencies into Fedora.

ghemical buildrequires:
   f2c
   libSC-devel
   mopac7-devel
   oglappth-devel
   libghemical-data
libghemical buildrequires:
   f2c
   libSC-devel
   mopac7-devel
mopac7 buildrequires:
   f2c
mpqc provides libSC7, libSC-devel
oglappth provides oglappth-devel
f2c provides f2c

Comment 1 Susi Lehtola 2009-11-30 19:47:08 UTC
Why don't you package OpenMopac 7.1? It's still under maintenance, MOPAC7 is not...

http://openmopac.net/

Comment 2 Carl Byington 2009-11-30 20:30:32 UTC
http://openmopac.net/Downloads/Mopac_7.1source.zip only contains microsoft .dsp style make files, nothing to help with building on linux.

http://www.uku.fi/~thassine/projects/download/current/mopac7-1.15.tar.gz is the version used by the author of ghemical.

Comment 4 Susi Lehtola 2009-12-23 22:01:21 UTC
rpmlint output:

mopac7.x86_64: E: no-binary
mopac7-devel.x86_64: W: no-documentation
mopac7-libs.x86_64: W: no-documentation

What you are actually doing with
 sed "s/\.\/src/\/usr\/bin/" run_mopac7 > %{buildroot}%{_bindir}/run_mopac7
is replacing the binary with a temporary libtool wrapper. What's the actual problem you want to solve?

The sed line looks like you could do with another separator than /, using e.g. | would make the expressions a lot neater.

Comment 5 Susi Lehtola 2009-12-23 22:02:45 UTC
Besides, you are shipping makefiles in the documentation.

Try if
 %check
 make test
works, if it does then IMHO you don't need to ship the tests directory at all.

Comment 6 Carl Byington 2009-12-23 23:24:18 UTC
fixed. The .dat files in ./test seem to be samples that could also be used for testing. It seems reasonable to install those in %doc (without the Makefiles). The sed expressions were from mandriva - cleaned up now, and installed the real binary rather than the libtool wrapper. run_mopac7 is a convenience fortran wrapper that needs to reference the installed mopac7 binary. Not caught earlier since ghemical just needs the libraries, not the main mopac7 binary.

http://www.five-ten-sg.com/mopac7.spec
http://www.five-ten-sg.com/mopac7-1.15-6.fc12.src.rpm
http://koji.fedoraproject.org/koji/taskinfo?taskID=1889228

Comment 7 Susi Lehtola 2009-12-23 23:56:02 UTC
rpmlint output:
mopac7.x86_64: E: binary-or-shlib-defines-rpath /usr/bin/mopac7 ['/usr/lib64']
mopac7-devel.x86_64: W: no-documentation
mopac7-libs.x86_64: W: no-documentation
5 packages and 0 specfiles checked; 1 errors, 2 warnings.

Get rid of the rpath.
http://fedoraproject.org/wiki/Packaging/Guidelines#Removing_Rpath

**

You have
 %{_bindir}/%{name}
 %{_bindir}/run_mopac7
in files, better change %{name} to mopac7.

**

Btw, the build process doesn't seem to use f2c at all - gfortran is used to compile the Fortran stuff.

**

There is no CCOPTIONS variable in the makefiles, drop CCOPTIONS="%{optflags}" from make. The used flags are already picked up by %configure.

**


MUST: The package does not yet exist in Fedora. The Review Request is not a duplicate. OK

MUST: The spec file for the package is legible and macros are used consistently. ~OK
- I think you could do with a few clarifying comments in the %install section.

MUST: The package must be named according to the Package Naming Guidelines. OK
MUST: The spec file name must match the base package %{name}. OK
MUST: The package must be licensed with a Fedora approved license and meet the  Licensing Guidelines. OK
MUST: The License field in the package spec file must match the actual license. OK
MUST: The sources used to build the package must match the upstream source, as provided in the spec URL. OK
MUST: The package MUST successfully compile and build into binary rpms. OK
MUST: The spec file MUST handle locales properly. N/A
MUST: Optflags are used and time stamps preserved. OK
MUST: Packages containing shared library files must call ldconfig. OK
MUST: A package must own all directories that it creates or require the package that owns the directory. OK
MUST: Files only listed once in %files listings. OK
MUST: Debuginfo package is complete. OK
MUST: Permissions on files must be set properly. OK
MUST: Clean section exists. OK
MUST: Large documentation files must go in a -doc subpackage. N/A

MUST: All relevant items are included in %doc. Items in %doc do not affect runtime of application.
- Place the %doc in -libs instead of the main package, as the main package requires the libraries but not vice versa.

MUST: Header files must be in a -devel package. OK
MUST: Static libraries must be in a -static package. N/A
MUST: Packages containing pkgconfig(.pc) files must 'Requires: pkgconfig'. OK
MUST: If a package contains library files with a suffix then library files ending in .so must go in a -devel package. OK
MUST: In the vast majority of cases, devel packages must require the base package using a fully versioned dependency. OK
MUST: Packages does not contain any .la libtool archives. OK
MUST: Desktop files are installed properly. N/A
MUST: No file conflicts with other packages andno general names. OK
MUST: Buildroot cleaned before install. OK
SHOULD: %{?dist} tag is used in release. OK
SHOULD: If the package does not include license text(s) as separate files from upstream, the packager should query upstream to include it. OK
SHOULD: The package builds in mock. OK

Comment 8 Carl Byington 2009-12-24 01:33:50 UTC
Fixed; only the 64 bit version has rpath? Needs chrpath to get rid of it.

http://www.five-ten-sg.com/mopac7.spec
http://www.five-ten-sg.com/mopac7-1.15-7.fc12.src.rpm
http://koji.fedoraproject.org/koji/taskinfo?taskID=1889314

Comment 9 Susi Lehtola 2009-12-24 08:51:20 UTC
Doesn't

%configure
sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool

do the trick?

Comment 10 Carl Byington 2009-12-24 16:34:31 UTC
possibly, but that seems much more fragile than using chrpath.

Comment 11 Susi Lehtola 2009-12-25 00:24:30 UTC
Anyway, it's the recommended way. Chrpath is a last resort and should be treated as such.

Comment 13 Susi Lehtola 2010-01-03 08:04:41 UTC
All issues have been fixed, the package has been

APPROVED

Comment 14 Carl Byington 2010-01-04 17:46:33 UTC
New Package CVS Request
=======================
Package Name: mopac7
Short Description: Semi-empirical quantum mechanics suite
Owners: carllibpst
Branches: F-11 F-12
InitialCC:

Comment 15 Kevin Fenzi 2010-01-04 20:10:28 UTC
cvs done.

Comment 16 Fedora Update System 2010-01-05 22:46:18 UTC
mopac7-1.15-8.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 mopac7'.  You can provide feedback for this update here: http://admin.fedoraproject.org/updates/F11/FEDORA-2010-0173

Comment 17 Fedora Update System 2010-01-05 22:55:38 UTC
mopac7-1.15-8.fc12 has been pushed to the Fedora 12 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 mopac7'.  You can provide feedback for this update here: http://admin.fedoraproject.org/updates/F12/FEDORA-2010-0200

Comment 18 Fedora Update System 2010-01-12 23:26:25 UTC
mopac7-1.15-8.fc11 has been pushed to the Fedora 11 stable repository.  If problems still persist, please make note of it in this bug report.

Comment 19 Fedora Update System 2010-01-12 23:34:24 UTC
mopac7-1.15-8.fc12 has been pushed to the Fedora 12 stable repository.  If problems still persist, please make note of it in this bug report.


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