[Bug 2032487] Review Request: votca - Versatile Object-oriented Toolkit for Coarse-graining Applications

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https://bugzilla.redhat.com/show_bug.cgi?id=2032487



--- Comment #7 from Susi Lehtola <susi.lehtola@xxxxxx> ---
Package Review
==============

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


Issues:
=======

- the bash file is installed in the wrong directory. The correct one is
%{_datadir}/bash-completion/completions/ which is owned by filesystem

- please use a trailing / consistently to mark directories, e.g. 
%{_datadir}/votca/csg-tutorials/
  vs
%{_datadir}/votca/xtp

- changelog is empty

- please move the %global definitions to the top of the spec file. Also, don't
indent them; the syntax differs from the other field and the indentation
thereby leads one astray as the indented data is not the value but the key!

- suffix should be defined in man1 files, %{_mandir}/man1/{votca,csg,xtp}_*.1*

- interdependencies should be fully versioned

- please check what's up with the duplicate files


===== MUST items =====

C/C++:
[-]: Package does not contain kernel modules.
[x]: Package contains no static executables.
[x]: If your application is a C or C++ application you must list a
     BuildRequires against gcc, gcc-c++ or clang.
[x]: Header files in -devel subpackage, if present.
[x]: ldconfig not called in %post and %postun for Fedora 28 and later.
[x]: Package does not contain any libtool archives (.la)
[x]: Rpath absent or only used for internal libs.
[x]: Development (unversioned) .so files in -devel subpackage, if present.

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]: License field in the package spec file matches the actual license.
[x]: License file installed when any subpackage combination is installed.
[!]: Package requires other packages for directories it uses.
     Note: /usr/share/bash_completion is the wrong directory
     The correct directory is owned by filesystem which is a base package.
[x]: Package must own all directories that it creates.
     Note: %{_datadir}/votca is owned by common, which is required through
dependencies by all subpackages.
[x]: Package does not own files or directories owned by other packages.
     Note: this is a re-review, so the dir ownership conflicts with the
existing packages do not matter.
[x]: %build honors applicable compiler flags or justifies otherwise.
[x]: Package contains no bundled libraries without FPC exception.
[!]: Changelog in prescribed format.
     Note: no changelog!!
[x]: Sources contain only permissible code or content.
[-]: Package contains desktop file if it is a GUI application.
[x]: Development files must be in a -devel package
[x]: Package uses nothing in %doc for runtime.
[x]: Package consistently uses macros (instead of hard-coded directory
     names).
[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.
[x]: If the package is a rename of another package, proper Obsoletes and
     Provides are present.
[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]: Package is not known to require an ExcludeArch tag.
[-]: Large documentation must go in a -doc subpackage. Large could be size
     (~1MB) or number of files.
     Note: Documentation size is 20480 bytes in 3 files.
[x]: Package complies to the Packaging Guidelines
[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 all rpms the build produces.
[x]: 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 %license.
[x]: Package uses either %{buildroot} or $RPM_BUILD_ROOT
[x]: Package does not run rm -rf %{buildroot} (or $RPM_BUILD_ROOT) at the
     beginning of %install.
[x]: Macros in Summary, %description expandable at SRPM build time.
[x]: Dist tag is present.
[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 does not use a name that already exists.
[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]: Packages must not store files under /srv, /opt or /usr/local

===== SHOULD items =====

Generic:
[x]: If the source package does not include license text(s) as a separate
     file from upstream, the packager SHOULD query upstream to include it.
[x]: Final provides and requires are sane (see attachments).
[!]: Fully versioned dependency in subpackages if applicable.
     Note: No Requires: %{name}%{?_isa} = %{version}-%{release} in votca-
     devel , votca-libs , votca-common , votca-csg-tutorials , votca-xtp-
     tutorials , votca-common-xtp , votca-bash
[?]: Package functions as described.
[?]: Latest version is packaged.
[x]: Package does not include license text files separate from upstream.
[-]: Sources are verified with gpgverify first in %prep if upstream
     publishes signatures.
     Note: gpgverify is not used.
[-]: Description and summary sections in the package spec file contains
     translations for supported Non-English languages, if available.
[?]: Package should compile and build into binary rpms on all supported
     architectures.
[x]: %check is present and all tests pass.
[x]: Packages should try to preserve timestamps of original installed
     files.
[x]: Reviewer should test that the package builds in mock.
[x]: Buildroot is not present
[x]: Package has no %clean section with rm -rf %{buildroot} (or
     $RPM_BUILD_ROOT)
[x]: No file requires outside of /etc, /bin, /sbin, /usr/bin, /usr/sbin.
[x]: Packager, Vendor, PreReq, Copyright tags should not be in spec file
[x]: Sources can be downloaded from URI in Source: tag
[x]: SourceX is a working URL.
[x]: Spec use %global instead of %define unless justified.

===== EXTRA items =====

Generic:
[x]: Rpmlint is run on debuginfo package(s).
[x]: Rpmlint is run on all installed packages.
[x]: Large data in /usr/share should live in a noarch subpackage if package
     is arched.
[x]: Spec file according to URL is the same as in SRPM.


Rpmlint
-------
votca.src: E: no-changelogname-tag
votca.x86_64: E: no-changelogname-tag
votca-bash.noarch: W: no-documentation
votca-bash.noarch: E: no-changelogname-tag
votca-common.noarch: E: no-changelogname-tag
votca-common-xtp.noarch: W: no-documentation
votca-common-xtp.noarch: E: no-changelogname-tag
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/bsecoupling.xml
/usr/share/votca/xtp/xml/bsecoupling.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/dftcoupling.xml
/usr/share/votca/xtp/xml/dftcoupling.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/dftpackage.xml
/usr/share/votca/xtp/xml/dftpackage.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/esp2multipole.xml
/usr/share/votca/xtp/xml/esp2multipole.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/gwbse.xml
/usr/share/votca/xtp/xml/gwbse.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/polar.xml
/usr/share/votca/xtp/xml/polar.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/region.xml
/usr/share/votca/xtp/xml/region.xml
votca-common-xtp.noarch: W: files-duplicate
/usr/share/votca/xtp/xml/subpackages/statetracker.xml
/usr/share/votca/xtp/xml/statetracker.xml
votca-csg-tutorials.noarch: W: no-documentation
votca-csg-tutorials.noarch: E: no-changelogname-tag
votca-csg-tutorials.noarch: E: files-duplicated-waste 7278817
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/spce/simplex/simple/table.xvg
/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/table.xvg:/usr/share/votca/csg-tutorials/spce/cma/simple/table.xvg:/usr/share/votca/csg-tutorials/spce/simplex/pressure/table.xvg
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/hybrid_force_matching/hexane.xml
/usr/share/votca/csg-tutorials/hexane/atomistic/hexane.xml:/usr/share/votca/csg-tutorials/hexane/force_matching/hexane.xml
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/A-A.dist.tgt
/usr/share/votca/csg-tutorials/hexane/ibi_all/A-A.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/A-B.dist.tgt
/usr/share/votca/csg-tutorials/hexane/ibi_all/A-B.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/B-B.dist.tgt
/usr/share/votca/csg-tutorials/hexane/ibi_all/B-B.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/conf.gro
/usr/share/votca/csg-tutorials/hexane/ibi_all/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/index.ndx
/usr/share/votca/csg-tutorials/hexane/ibi_all/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/spce/simplex/simple/run.sh
/usr/share/votca/csg-tutorials/hexane/ibi_all/run.sh:/usr/share/votca/csg-tutorials/methanol/ibi/run.sh:/usr/share/votca/csg-tutorials/methanol/imc/run.sh:/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/run.sh:/usr/share/votca/csg-tutorials/propane/ibi/run.sh:/usr/share/votca/csg-tutorials/propane/imc/run.sh:/usr/share/votca/csg-tutorials/spce/cma/density/run.sh:/usr/share/votca/csg-tutorials/spce/cma/simple/run.sh:/usr/share/votca/csg-tutorials/spce/ibi/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_espresso/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_espressopp/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_hoomd-blue/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_lammps/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_pressure/run.sh:/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/run.sh:/usr/share/votca/csg-tutorials/spce/imc/run.sh:/usr/share/votca/csg-tutorials/spce/re_lammps/run.sh:/usr/share/votca/csg-tutorials/spce/realtime/run.sh:/usr/share/votca/csg-tutorials/spce/realtime_lammps/run.sh:/usr/share/votca/csg-tutorials/spce/simplex/density/run.sh:/usr/share/votca/csg-tutorials/spce/simplex/pressure/run.sh
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/spce/simplex/density/table.xvg
/usr/share/votca/csg-tutorials/hexane/ibi_all/table.xvg:/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/table.xvg:/usr/share/votca/csg-tutorials/propane/ibi/table.xvg:/usr/share/votca/csg-tutorials/propane/imc/table.xvg:/usr/share/votca/csg-tutorials/spce/cma/density/table.xvg:/usr/share/votca/csg-tutorials/spce/hncgn/table.xvg:/usr/share/votca/csg-tutorials/spce/ibi/table.xvg:/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/table.xvg:/usr/share/votca/csg-tutorials/spce/ibi_pressure/table.xvg:/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/table.xvg:/usr/share/votca/csg-tutorials/spce/imc/table.xvg:/usr/share/votca/csg-tutorials/spce/re/table.xvg:/usr/share/votca/csg-tutorials/spce/realtime/table.xvg
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/topol.top
/usr/share/votca/csg-tutorials/hexane/ibi_all/topol.top
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/spce/re/run.sh
/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/run.sh
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/methanol.xml
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/methanol.xml:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/methanol.xml
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol/atomistic/methanol_opls.itp
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/methanol_opls.itp:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/methanol_opls.itp:/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/methanol_opls.itp
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/run.sh
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/run.sh:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/run.sh
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/settings.xml
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/settings.xml:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/settings.xml
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/water.xml
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/water.xml:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/water.xml
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-ME.aa.rdf
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-ME.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-WT.aa.rdf
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-WT.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/WT-WT.aa.rdf
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/WT-WT.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/conf.gro
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/grompp.mdp
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/grompp.mdp:/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.mdp:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/grompp.mdp:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/grompp.mdp:/usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/grompp.mdp
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/index.ndx
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/run.sh
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/run.sh:/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/run.sh:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/run.sh:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/run.sh:/usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/run.sh
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/table.xvg
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/table.xvg:/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/table.xvg:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/table.xvg:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/table.xvg:/usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/table.xvg
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/topol.top
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/topol.top
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/function_CKDg_ME_ME.in
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_ME_ME.in:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/function_CKDg_ME_ME.in
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/function_CKDg_ME_WT.in
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_ME_WT.in:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/function_CKDg_ME_WT.in
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/function_CKDg_WT_WT.in
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_WT_WT.in:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/function_CKDg_WT_WT.in
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/spce/simplex/simple/function_rdf_weight.in
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_rdf_weight.in:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/function_rdf_weight.in:/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/function_rdf_weight.in:/usr/share/votca/csg-tutorials/spce/cma/simple/function_rdf_weight.in:/usr/share/votca/csg-tutorials/spce/simplex/pressure/function_rdf_weight.in
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/grompp.prep.mdp
/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.prep.mdp:/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/grompp.prep.mdp
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/grompp.mdp
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/grompp.mdp
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/ME-ME.aa.rdf
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/ME-ME.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/ME-WT.aa.rdf
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/ME-WT.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/WT-WT.aa.rdf
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/WT-WT.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/conf.gro
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/index.ndx
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/topol.top
/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/topol.top
votca-csg-tutorials.noarch: W: files-duplicate
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votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.vpot
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system_property.txt
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n-pol.mps
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/thiophene_n-pol.mps
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_n.mps
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/thiophene_n.mps:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/thiophene_n.mps:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n.mps
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/log2mps.xml
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/log2mps.xml
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/molpol.xml
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/molpol.xml
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.gbw
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.inp
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.log
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.vpot
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.vpot
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system_property.txt:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system_property.txt:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system_property.txt
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e-pol.mps
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/thiophene_e-pol.mps
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_e.mps
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/thiophene_e.mps:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/thiophene_e.mps:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e.mps
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/log2mps.xml
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/molpol.xml
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/molpol.xml
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.gbw
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.inp
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.log
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.vpot
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.vpot
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system_property.txt:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system_property.txt:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system_property.txt
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_h.mps
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/thiophene_h.mps:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/thiophene_h.mps:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h.mps
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.engrad
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.engrad
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.gbw
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.inp
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.log
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.opt
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.opt
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.trj
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.trj
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.xyz:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/system.xyz:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.xyz
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system_property.txt
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/Reorg_summary.csv
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.inp
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.log
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.log
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system_property.txt
votca-xtp-tutorials.noarch: W: files-duplicate
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_e.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/system.xyz


Source checksums
----------------
https://github.com/votca/votca/archive/v2022-rc.2.tar.gz#/votca-2022-rc.2.tar.gz
:
  CHECKSUM(SHA256) this package     :
94a81c397b5ce2cb32171e87ccef5f68352cbffd8d6ee8d41b7fff4028ede497
  CHECKSUM(SHA256) upstream package :
94a81c397b5ce2cb32171e87ccef5f68352cbffd8d6ee8d41b7fff4028ede497


Requires
--------
votca (rpmlib, GLIBC filtered):
    /usr/bin/bash
    /usr/bin/python3
    libboost_program_options.so.1.76.0()(64bit)
    libc.so.6()(64bit)
    libgcc_s.so.1()(64bit)
    libgcc_s.so.1(GCC_3.0)(64bit)
    libgcc_s.so.1(GCC_3.3.1)(64bit)
    libgomp.so.1()(64bit)
    libgomp.so.1(GOMP_4.0)(64bit)
    libgomp.so.1(OMP_1.0)(64bit)
    libm.so.6()(64bit)
    libstdc++.so.6()(64bit)
    libstdc++.so.6(CXXABI_1.3)(64bit)
    libstdc++.so.6(CXXABI_1.3.9)(64bit)
    libvotca_csg.so.2022()(64bit)
    libvotca_tools.so.2022()(64bit)
    libvotca_xtp.so.2022()(64bit)
    rtld(GNU_HASH)
    votca-common
    votca-common-xtp
    votca-libs

votca-devel (rpmlib, GLIBC filtered):
    boost-devel
    cmake-filesystem(x86-64)
    expat-devel
    fftw3-devel
    hdf5-devel
    libecpint-devel
    libint2-devel
    libxc-devel
    pkgconfig
    votca
    votca-libs

votca-libs (rpmlib, GLIBC filtered):
    libboost_filesystem.so.1.76.0()(64bit)
    libboost_program_options.so.1.76.0()(64bit)
    libc.so.6()(64bit)
    libecpint.so.1()(64bit)
    libexpat.so.1()(64bit)
    libfftw3.so.3()(64bit)
    libgcc_s.so.1()(64bit)
    libgcc_s.so.1(GCC_3.0)(64bit)
    libgcc_s.so.1(GCC_3.3.1)(64bit)
    libgcc_s.so.1(GCC_4.0.0)(64bit)
    libgomp.so.1()(64bit)
    libgomp.so.1(GOMP_1.0)(64bit)
    libgomp.so.1(GOMP_4.0)(64bit)
    libgomp.so.1(GOMP_4.5)(64bit)
    libgomp.so.1(OMP_1.0)(64bit)
    libgromacs_d.so.4()(64bit)
    libhdf5.so.200()(64bit)
    libhdf5_cpp.so.200()(64bit)
    libint2.so.2()(64bit)
    libm.so.6()(64bit)
    libstdc++.so.6()(64bit)
    libstdc++.so.6(CXXABI_1.3)(64bit)
    libstdc++.so.6(CXXABI_1.3.5)(64bit)
    libstdc++.so.6(CXXABI_1.3.8)(64bit)
    libstdc++.so.6(CXXABI_1.3.9)(64bit)
    libvotca_csg.so.2022()(64bit)
    libvotca_tools.so.2022()(64bit)
    libxc.so.9()(64bit)
    rtld(GNU_HASH)

votca-common (rpmlib, GLIBC filtered):
    /usr/bin/bash
    /usr/bin/perl
    /usr/bin/python3
    perl(CsgFunctions)
    perl(CsgSimplex)
    perl(Exporter)
    perl(POSIX)
    perl(constant)
    perl(strict)
    perl(vars)

votca-csg-tutorials (rpmlib, GLIBC filtered):
    /usr/bin/bash
    /usr/bin/python2
    /usr/bin/python3
    /usr/bin/sh
    votca

votca-xtp-tutorials (rpmlib, GLIBC filtered):
    /usr/bin/bash
    /usr/bin/python3
    votca

votca-common-xtp (rpmlib, GLIBC filtered):
    /usr/bin/python3

votca-bash (rpmlib, GLIBC filtered):
    bash-completion
    votca

votca-debuginfo (rpmlib, GLIBC filtered):

votca-debugsource (rpmlib, GLIBC filtered):



Provides
--------
votca:
    votca
    votca(x86-64)
    votca-csg
    votca-tools
    votca-xtp

votca-devel:
    cmake(VOTCA_CSG)
    cmake(VOTCA_TOOLS)
    cmake(VOTCA_XTP)
    cmake(votca_csg)
    cmake(votca_tools)
    cmake(votca_xtp)
    votca-csg-devel
    votca-devel
    votca-devel(x86-64)
    votca-tools-devel
    votca-xtp-devel

votca-libs:
    libvotca_csg.so.2022()(64bit)
    libvotca_tools.so.2022()(64bit)
    libvotca_xtp.so.2022()(64bit)
    votca-csg-libs
    votca-libs
    votca-libs(x86-64)
    votca-xtp-libs

votca-common:
    perl(CsgFunctions)
    perl(CsgSimplex)
    votca-common
    votca-csg-common

votca-csg-tutorials:
    votca-csg-tutorials

votca-xtp-tutorials:
    votca-xtp-tutorials

votca-common-xtp:
    votca-common-xtp
    votca-xtp-common

votca-bash:
    votca-bash
    votca-csg-bash

votca-debuginfo:
    debuginfo(build-id)
    votca-debuginfo
    votca-debuginfo(x86-64)

votca-debugsource:
    votca-debugsource
    votca-debugsource(x86-64)


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