| 12:37:53 PM PDT - Fri, Nov 4th 2011 |
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I would like to suggest 3 fixes based on my experience of packaging nwchem:
1. introduce PYTHONLIBTYPE variable
sed -i 's/libpython$(PYTHONVERSION).a/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)/g' src/config/makefile.h
Necessary because modern python installations (Fedora, RHEL 6) use libpython*.so instead of libpython*.a
2. release the next nwchem as Nwchem-6.1.0.tar.gz
I guess nwchem 6.0 is not really the originally released tarball, and includes patches.
If this is the case such a practice is a source of confusion:
2a. downloading and building http://nwchemgit.github.io/images/Nwchem-6.0.tar.gz at different time
will result in different binaries
and definitively is inconvenient from RPM packaging point of view:
2b. in a package with naming convention of name-v1.v2.v3 one usually denotes the minor release by v3
so automatic updates systems (yum, yast) will pickup the presence of the update.
Please read about RPM packaging at
http://fedoraproject.org/wiki/Packaging:NamingGuidelines#Package_Versioning
http://fedoraproject.org/wiki/EPEL/GuidelinesAndPolicies#Minor_version_updates
3. apply the patches (created against http://nwchemgit.github.io/images/Nwchem-src-2011-Oct-25.tar.gz)
https://svn.fysik.dtu.dk/projects/rpmbuild/trunk/SOURCES/nwchem-6.1.pre.Parallel-mpi.F.pat...
https://svn.fysik.dtu.dk/projects/rpmbuild/trunk/SOURCES/nwchem-6.1.pre.D3dB-mpi.F.patch
in order to build this version.
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