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

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Product: Fedora
https://bugzilla.redhat.com/show_bug.cgi?id=951582

            Bug ID: 951582
           Summary: Review Request: psi4 - An ab initio quantum chemistry
                    package
           Product: Fedora
           Version: rawhide
         Component: Package Review
          Severity: medium
          Priority: medium
          Assignee: nobody@xxxxxxxxxxxxxxxxx
          Reporter: susi.lehtola@xxxxxx
        QA Contact: extras-qa@xxxxxxxxxxxxxxxxx
                CC: notting@xxxxxxxxxx,
                    package-review@xxxxxxxxxxxxxxxxxxxxxxx
          Category: ---

Spec URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4.spec

SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/psi4-4.0-0.1.b4.fc18.src.rpm

Description:
PSI4 is an open-source suite of ab initio quantum chemistry programs
designed for efficient, high-accuracy simulations of a variety of
molecular properties. We can routinely perform computations with more
than 2500 basis functions running serially or in parallel.

Fedora Account System Username: jussilehtola

rpmlint output:

psi4.src: W: spelling-error Summary(en_US) initio -> initiation
psi4.src: W: spelling-error %description -l en_US initio -> initiation
psi4.src:2: W: configure-without-libdir-spec
psi4.src:11: W: macro-in-comment %{version}
psi4.src:127: W: macro-in-comment %{_target_platform}
psi4.x86_64: W: spelling-error Summary(en_US) initio -> initiation
psi4.x86_64: W: spelling-error %description -l en_US initio -> initiation
psi4.x86_64: W: no-documentation
psi4.x86_64: W: no-manual-page-for-binary psi4
psi4-data.noarch: W: no-documentation
psi4-data.noarch: E: non-executable-script /usr/share/psi/python/pep8.py 0644L
/usr/bin/python
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/chartab.cc
psi4-debuginfo.x86_64: W: spurious-executable-perm
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2.h
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/rep.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_Heff_doubles.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_Heff.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_t1_amps.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_Heff_singles.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_t2_amps.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/petitelist.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/corrtab.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/mp2_ccsd_add_matrices.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_add_matrices.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/maketab.cc
psi4-debuginfo.x86_64: E: script-without-shebang
/usr/src/debug/psi4.0b4/src/bin/psimrcc/idmrpt2_f_int.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/pointgrp.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/shellrotation.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/irrep.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/fjt.cc
psi4-debuginfo.x86_64: E: incorrect-fsf-address
/usr/src/debug/psi4.0b4/src/lib/libmints/symop.cc
psi4-devel.x86_64: W: no-documentation
psi4-devel.x86_64: E: zero-length /usr/include/psi4/libyeti/dataimpl.h
6 packages and 0 specfiles checked; 21 errors, 12 warnings.

The warnings are spurious, and I have adressed the errors in the upstream
development tree, which will solve them when a new tarball is released.

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