Bug 2032487 - Re-review Request: votca - Versatile Object-oriented Toolkit for Coarse-graining Applications
Summary: Re-review Request: votca - Versatile Object-oriented Toolkit for Coarse-grain...
Keywords:
Status: CLOSED RAWHIDE
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:
Blocks:
TreeView+ depends on / blocked
 
Reported: 2021-12-14 14:59 UTC by Christoph Junghans
Modified: 2022-01-13 02:52 UTC (History)
3 users (show)

Fixed In Version:
Doc Type: If docs needed, set a value
Doc Text:
Clone Of:
Environment:
Last Closed: 2022-01-13 02:52:56 UTC
Type: ---
Embargoed:
susi.lehtola: fedora-review+


Attachments (Terms of Use)


Links
System ID Private Priority Status Summary Last Updated
Fedora Pagure releng/fedora-scm-requests issue 40314 0 None None None 2021-12-29 21:30:37 UTC

Description Christoph Junghans 2021-12-14 14:59:55 UTC
Spec URL: https://fedorapeople.org/~junghans/votca.spec
SRPM URL: https://fedorapeople.org/~junghans/votca-2022~rc1-1.fc36.src.rpm
Description: VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors.
Fedora Account System Username: junghans
TaskId: https://koji.fedoraproject.org/koji/taskinfo?taskID=79955716

In the upcoming 2022 release votca will only be distributed as one big tarball, this is basically a merge votca-{tools,csg,xtp} to make building it easier (no more chain builds) and to allow for more testing. Plus it will package the tutorials as well.

Comment 1 Ben Beasley 2021-12-14 15:09:39 UTC
Edited the issue title to contain the Summary from the spec file.

Comment 2 Christoph Junghans 2021-12-16 22:06:29 UTC
Spec URL: https://fedorapeople.org/~junghans/votca.spec
SRPM URL: https://fedorapeople.org/~junghans/votca-2022~rc2-1.fc36.src.rpm
Description: VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors.
Fedora Account System Username: junghans
TaskID: https://koji.fedoraproject.org/koji/taskinfo?taskID=80090642

Comment 3 Susi Lehtola 2021-12-19 21:51:31 UTC
Christoph, please read through the MPI packaging guidelines
https://docs.fedoraproject.org/en-US/packaging-guidelines/MPI/

and modify the package accordingly. Please provide a MPICH version as well.

Also, is this not supposed to be a re-review instead of a review?

Comment 4 Christoph Junghans 2021-12-20 00:50:53 UTC
(In reply to Susi Lehtola from comment #3)
> Christoph, please read through the MPI packaging guidelines
> https://docs.fedoraproject.org/en-US/packaging-guidelines/MPI/
> 
> and modify the package accordingly. Please provide a MPICH version as well.
There is really no mpi "version" merely mpi-enabled gromacs and espressomd are used during testing, but we could also just disable these test.

> 
> Also, is this not supposed to be a re-review instead of a review?
I wasn't sure, so many things are different. What is the guidance on that?

Comment 5 Susi Lehtola 2021-12-20 01:21:49 UTC
> > and modify the package accordingly. Please provide a MPICH version as well.
> There is really no mpi "version" merely mpi-enabled gromacs and espressomd
> are used during testing, but we could also just disable these test.

Oh, in that case it's fine... Just document it better in the spec :)

> > Also, is this not supposed to be a re-review instead of a review?
> I wasn't sure, so many things are different. What is the guidance on that?

If the packages are already in the repo, this is a re-review.

I don't honestly know, it's been years since I've handled one the last time. The main thing to check and test is just that the upgrade paths work.

Have you had any thoughts about semantic versioning? Forcing yearly soname bumps and rebuilds may get annoying...

Comment 6 Christoph Junghans 2021-12-20 01:36:10 UTC
(In reply to Susi Lehtola from comment #5)
> > > and modify the package accordingly. Please provide a MPICH version as well.
> > There is really no mpi "version" merely mpi-enabled gromacs and espressomd
> > are used during testing, but we could also just disable these test.
> 
> Oh, in that case it's fine... Just document it better in the spec :)
I updated the spec.

> Have you had any thoughts about semantic versioning? Forcing yearly soname
> bumps and rebuilds may get annoying...
It is on my to-do list, right now not much depends on votca so it is not a huge deal.

Comment 7 Susi Lehtola 2021-12-23 14:36:35 UTC
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 /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/settings.xml /usr/share/votca/csg-tutorials/methanol-water/X_0.5/simplex/settings.xml
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/ME-ME.aa.rdf /usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/ME-ME.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/ME-WT.aa.rdf /usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/ME-WT.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/WT-WT.aa.rdf /usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/WT-WT.aa.rdf
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/conf.gro /usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/index.ndx /usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol-water/X_0.938/simplex/topol.top /usr/share/votca/csg-tutorials/methanol-water/X_0.938/re/topol.top
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol/force_matching/methanol.xml /usr/share/votca/csg-tutorials/methanol/atomistic/methanol.xml
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/conf.gro /usr/share/votca/csg-tutorials/methanol/ibi/conf.gro:/usr/share/votca/csg-tutorials/methanol/imc/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/index.ndx /usr/share/votca/csg-tutorials/methanol/ibi/index.ndx:/usr/share/votca/csg-tutorials/methanol/imc/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/rdf_methanol.xvg /usr/share/votca/csg-tutorials/methanol/ibi/rdf_methanol.xvg:/usr/share/votca/csg-tutorials/methanol/imc/rdf_methanol.xvg
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/table.xvg /usr/share/votca/csg-tutorials/methanol/ibi/table.xvg:/usr/share/votca/csg-tutorials/methanol/imc/table.xvg
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/topol.top /usr/share/votca/csg-tutorials/methanol/ibi/topol.top:/usr/share/votca/csg-tutorials/methanol/imc/topol.top
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/A-A.dist.tgt /usr/share/votca/csg-tutorials/propane/ibi/A-A.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/A-B.dist.tgt /usr/share/votca/csg-tutorials/propane/ibi/A-B.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/B-B.dist.tgt /usr/share/votca/csg-tutorials/propane/ibi/B-B.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/conf.gro /usr/share/votca/csg-tutorials/propane/ibi/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/index.ndx /usr/share/votca/csg-tutorials/propane/ibi/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/table_a1.xvg /usr/share/votca/csg-tutorials/propane/ibi/table_a1.xvg
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/table_b1.xvg /usr/share/votca/csg-tutorials/propane/ibi/table_b1.xvg
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/propane/imc/topol.top /usr/share/votca/csg-tutorials/propane/ibi/topol.top
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/force_matching/water.xml /usr/share/votca/csg-tutorials/spce/atomistic/water.xml
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/conf.gro /usr/share/votca/csg-tutorials/spce/cma/density/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/dens_CG_CG_aim.xvg /usr/share/votca/csg-tutorials/spce/cma/density/dens_CG_CG_aim.xvg
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/grompp.mdp /usr/share/votca/csg-tutorials/spce/cma/density/grompp.mdp
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/grompp.prep.mdp /usr/share/votca/csg-tutorials/spce/cma/density/grompp.prep.mdp
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/index.ndx /usr/share/votca/csg-tutorials/spce/cma/density/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/rdf_CG_CG_aim.xvg /usr/share/votca/csg-tutorials/spce/cma/density/rdf_CG_CG_aim.xvg
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/density/topol.top /usr/share/votca/csg-tutorials/spce/cma/density/topol.top
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/CG-CG.dist.tgt /usr/share/votca/csg-tutorials/spce/cma/simple/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_espresso/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_espressopp/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_hoomd-blue/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_lammps/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_pressure/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/imc/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/re_lammps/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/realtime/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/realtime_lammps/CG-CG.dist.tgt:/usr/share/votca/csg-tutorials/spce/simplex/pressure/CG-CG.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/conf.gro /usr/share/votca/csg-tutorials/spce/cma/simple/conf.gro:/usr/share/votca/csg-tutorials/spce/hncgn/conf.gro:/usr/share/votca/csg-tutorials/spce/ibi/conf.gro:/usr/share/votca/csg-tutorials/spce/ibi_espresso/spce.gro:/usr/share/votca/csg-tutorials/spce/ibi_espressopp/conf.gro:/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/conf.gro:/usr/share/votca/csg-tutorials/spce/ibi_hoomd-blue/conf.gro:/usr/share/votca/csg-tutorials/spce/ibi_pressure/conf.gro:/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/conf.gro:/usr/share/votca/csg-tutorials/spce/imc/conf.gro:/usr/share/votca/csg-tutorials/spce/re/conf.gro:/usr/share/votca/csg-tutorials/spce/simplex/pressure/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/function_CKDg.in /usr/share/votca/csg-tutorials/spce/cma/simple/function_CKDg.in:/usr/share/votca/csg-tutorials/spce/simplex/pressure/function_CKDg.in
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/grompp.mdp /usr/share/votca/csg-tutorials/spce/cma/simple/grompp.mdp
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/grompp.prep.mdp /usr/share/votca/csg-tutorials/spce/cma/simple/grompp.prep.mdp
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/index.ndx /usr/share/votca/csg-tutorials/spce/cma/simple/index.ndx:/usr/share/votca/csg-tutorials/spce/ibi/index.ndx:/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/index.ndx:/usr/share/votca/csg-tutorials/spce/ibi_pressure/index.ndx:/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/index.ndx:/usr/share/votca/csg-tutorials/spce/imc/index.ndx:/usr/share/votca/csg-tutorials/spce/re/index.ndx:/usr/share/votca/csg-tutorials/spce/realtime/index.ndx:/usr/share/votca/csg-tutorials/spce/simplex/pressure/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/simplex/simple/topol.top /usr/share/votca/csg-tutorials/spce/cma/simple/topol.top:/usr/share/votca/csg-tutorials/spce/ibi/topol.top:/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/topol.top:/usr/share/votca/csg-tutorials/spce/ibi_pressure/topol.top:/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/topol.top:/usr/share/votca/csg-tutorials/spce/imc/topol.top:/usr/share/votca/csg-tutorials/spce/re/topol.top:/usr/share/votca/csg-tutorials/spce/realtime/topol.top:/usr/share/votca/csg-tutorials/spce/simplex/pressure/topol.top
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votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/ibi_hoomd-blue/topol.xml /usr/share/votca/csg-tutorials/spce/ibi_espressopp/topol.xml
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/realtime_lammps/spce.data /usr/share/votca/csg-tutorials/spce/ibi_lammps/spce.data:/usr/share/votca/csg-tutorials/spce/re_lammps/spce.data
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/re_lammps/CG-CG.param.init /usr/share/votca/csg-tutorials/spce/re/CG-CG.param.init
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/realtime_lammps/allplots.gp /usr/share/votca/csg-tutorials/spce/realtime/allplots.gp
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.fm /usr/share/votca/csg-tutorials/spce/realtime/pot.fm
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.ibm /usr/share/votca/csg-tutorials/spce/realtime/pot.ibm
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.imc /usr/share/votca/csg-tutorials/spce/realtime/pot.imc
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/urea-water/cibi/pre/A-A.dist.tgt /usr/share/votca/csg-tutorials/urea-water/cibi/A-A.dist.tgt
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/urea-water/cibi/pre/A-B.dist.tgt /usr/share/votca/csg-tutorials/urea-water/cibi/A-B.dist.tgt
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votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/urea-water/cibi/pre/conf.gro /usr/share/votca/csg-tutorials/urea-water/cibi/conf.gro
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/urea-water/cibi/pre/grompp.mdp /usr/share/votca/csg-tutorials/urea-water/cibi/grompp.mdp
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/urea-water/cibi/pre/index.ndx /usr/share/votca/csg-tutorials/urea-water/cibi/index.ndx
votca-csg-tutorials.noarch: W: files-duplicate /usr/share/votca/csg-tutorials/urea-water/kb-ibi/table.xvg /usr/share/votca/csg-tutorials/urea-water/cibi/pre/table.xvg:/usr/share/votca/csg-tutorials/urea-water/cibi/table.xvg:/usr/share/votca/csg-tutorials/urea-water/ibi/table.xvg
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votca-debuginfo.x86_64: W: unstripped-binary-or-object /usr/lib/debug/usr/bin/csg_dlptopol-2022~rc2-1.fc36.x86_64.debug
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votca-xtp-tutorials.noarch: W: files-duplicate /usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.log /usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.log
votca-xtp-tutorials.noarch: W: files-duplicate /usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg /usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg
votca-xtp-tutorials.noarch: W: files-duplicate /usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.prop /usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop:/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.prop
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)

Comment 8 Christoph Junghans 2021-12-27 14:59:12 UTC
(In reply to Susi Lehtola from comment #7)
> - the bash file is installed in the wrong directory. The correct one is
> %{_datadir}/bash-completion/completions/ which is owned by filesystem
Done

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

> - changelog is empty
Added

> - 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!
Moved.

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

> - interdependencies should be fully versioned
Added

> - please check what's up with the duplicate files
Ran %{fdupes} on it.

> [!]: Changelog in prescribed format.
>      Note: no changelog!!
Done

> [!]: 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
Added.

Comment 9 Susi Lehtola 2021-12-27 16:49:45 UTC
Where are the new spec and srpm?

Comment 10 Christoph Junghans 2021-12-28 22:09:52 UTC
(In reply to Susi Lehtola from comment #9)
> Where are the new spec and srpm?

Spec URL: https://fedorapeople.org/~junghans/votca.spec
SRPM URL: https://fedorapeople.org/~junghans/votca-2022~rc1-1.fc36.src.rpm

Comment 11 Susi Lehtola 2021-12-29 02:51:12 UTC
According to the revision tag and changelog this is the original version. Please supply the new one. Note that package versioning guidelines apply already during package review.

Comment 12 Christoph Junghans 2021-12-29 15:56:15 UTC
(In reply to Susi Lehtola from comment #11)
> According to the revision tag and changelog this is the original version.
> Please supply the new one. Note that package versioning guidelines apply
> already during package review.

Here you go:
Spec URL: https://fedorapeople.org/~junghans/votca.spec
SRPM URL: https://fedorapeople.org/~junghans/votca-2022~rc2-2.fc36.src.rpm

Comment 13 Susi Lehtola 2021-12-29 17:02:10 UTC
Thanks. It looks like all the issues have been fixed.

This re-review has been

APPROVED

by jussilehtola.


PS. I'm not sure that

BuildArch:  noarch
Requires:   %{name}%{?_isa} = %{version}-%{release}

will work, since the noarch package can be built on any architecture. As far as I remember, noarch packages can't use %{?_isa} in their requires. Feel free to address this before import.

Comment 14 Christoph Junghans 2021-12-29 21:30:38 UTC
(In reply to Susi Lehtola from comment #11)
> According to the revision tag and changelog this is the original version.
> Please supply the new one. Note that package versioning guidelines apply
> already during package review.

Here you go:
Spec URL: https://fedorapeople.org/~junghans/votca.spec
SRPM URL: https://fedorapeople.org/~junghans/votca-2022~rc2-2.fc36.src.rpm

Comment 15 Gwyn Ciesla 2021-12-29 21:31:28 UTC
(fedscm-admin):  The Pagure repository was created at https://src.fedoraproject.org/rpms/votca

Comment 16 Susi Lehtola 2021-12-29 21:59:17 UTC
IIRC you'll have to retire the old packages first, and then you can build the new one.


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