Bug 2310391 (multicharge) - Review Request: multicharge - Electronegativity equilibration model for atomic partial charges
Summary: Review Request: multicharge - Electronegativity equilibration model for atomi...
Keywords:
Status: CLOSED ERRATA
Alias: multicharge
Product: Fedora
Classification: Fedora
Component: Package Review
Version: rawhide
Hardware: All
OS: Linux
medium
medium
Target Milestone: ---
Assignee: Peter Lemenkov
QA Contact: Fedora Extras Quality Assurance
URL: https://github.com/grimme-lab/multich...
Whiteboard:
Depends On: mstore
Blocks: dftd4
TreeView+ depends on / blocked
 
Reported: 2024-09-06 10:46 UTC by Susi Lehtola
Modified: 2024-09-23 01:24 UTC (History)
2 users (show)

Fixed In Version:
Clone Of:
Environment:
Last Closed: 2024-09-23 00:15:32 UTC
Type: ---
Embargoed:
lemenkov: fedora-review+


Attachments (Terms of Use)
The .spec file difference from Copr build 7988969 to 7997587 (1.55 KB, patch)
2024-09-08 15:07 UTC, Fedora Review Service
no flags Details | Diff

Description Susi Lehtola 2024-09-06 10:46:05 UTC
Spec URL: https://jussilehtola.fedorapeople.org/multicharge.spec
SRPM URL: https://jussilehtola.fedorapeople.org/multicharge-0.3.0-1.fc40.src.rpm
Fedora Account System Username: jussilehtola

Description:
Electronegativity equilibration model for atomic partial charges.

Comment 1 Fedora Review Service 2024-09-06 10:47:49 UTC
Copr build:
https://copr.fedorainfracloud.org/coprs/build/7988969
(failed)

Build log:
https://download.copr.fedorainfracloud.org/results/@fedora-review/fedora-review-2310391-multicharge/fedora-rawhide-x86_64/07988969-multicharge/builder-live.log.gz

Please make sure the package builds successfully at least for Fedora Rawhide.

- If the build failed for unrelated reasons (e.g. temporary network
  unavailability), please ignore it.
- If the build failed because of missing BuildRequires, please make sure they
  are listed in the "Depends On" field


---
This comment was created by the fedora-review-service
https://github.com/FrostyX/fedora-review-service

If you want to trigger a new Copr build, add a comment containing new
Spec and SRPM URLs or [fedora-review-service-build] string.

Comment 2 Peter Lemenkov 2024-09-07 09:28:50 UTC
I'll review it as soon as package from bug 2310390 hits Rawhide.

Comment 3 Susi Lehtola 2024-09-07 11:39:22 UTC
(In reply to Peter Lemenkov from comment #2)
> I'll review it as soon as package from bug 2310390 hits Rawhide.

mstore has now hit the f40, f41 and f42 buildroots.

Comment 4 Peter Lemenkov 2024-09-07 11:55:34 UTC
Cannot build in Mock:

```
387 RPM build errors:
388     File not found: /builddir/build/BUILD/multicharge-0.3.0-build/BUILDROOT/usr/share/man/man1/multicharge.1*
```

Comment 5 Peter Lemenkov 2024-09-07 12:11:06 UTC
CAfter fixing a prefious issue it fails to build on i686:

```
config/meson.build:118:24: ERROR: Fortran shared or static library 'flexiblas64' not found
A full log can be found at /builddir/build/BUILD/multicharge-0.3.0-build/multicharge-0.3.0/redhat-linux-build/meson-logs/meson-log.txt
```

Comment 6 Susi Lehtola 2024-09-07 12:24:58 UTC
Added missing BR: rubygem-asciidoctor and fixed link on ix86

https://jussilehtola.fedorapeople.org/multicharge.spec
https://jussilehtola.fedorapeople.org/multicharge-0.3.0-2.fc40.src.rpm

Comment 7 Peter Lemenkov 2024-09-07 15:24:19 UTC
Unfortunately we have to wait at least until ```mstore-0.3.0-1.fc42``` will be pushed to stable. There is no way to use buildroot overrides or Koji scratch-builds in fedora-review (despite of what outdated documentation says). Let's wait a bit.

Comment 8 Susi Lehtola 2024-09-07 17:20:38 UTC
Added the missing requires on the base package in devel

https://jussilehtola.fedorapeople.org/multicharge.spec
https://jussilehtola.fedorapeople.org/multicharge-0.3.0-3.fc40.src.rpm

Comment 9 Fedora Review Service 2024-09-08 15:07:50 UTC
Created attachment 2045800 [details]
The .spec file difference from Copr build 7988969 to 7997587

Comment 10 Fedora Review Service 2024-09-08 15:07:52 UTC
Copr build:
https://copr.fedorainfracloud.org/coprs/build/7997587
(failed)

Build log:
https://download.copr.fedorainfracloud.org/results/@fedora-review/fedora-review-2310391-multicharge/fedora-rawhide-x86_64/07997587-multicharge/builder-live.log.gz

Please make sure the package builds successfully at least for Fedora Rawhide.

- If the build failed for unrelated reasons (e.g. temporary network
  unavailability), please ignore it.
- If the build failed because of missing BuildRequires, please make sure they
  are listed in the "Depends On" field


---
This comment was created by the fedora-review-service
https://github.com/FrostyX/fedora-review-service

If you want to trigger a new Copr build, add a comment containing new
Spec and SRPM URLs or [fedora-review-service-build] string.

Comment 11 Peter Lemenkov 2024-09-09 09:46:39 UTC
I can't spot any issues so here is my formal

Package Review
==============

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

Issues:
=======
- If your application is a C or C++ application you must list a
  BuildRequires against gcc, gcc-c++ or clang.
  Note: No gcc, gcc-c++ or clang found in BuildRequires
  See: https://docs.fedoraproject.org/en-US/packaging-guidelines/C_and_C++/

^^^ false positive

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

C/C++:
[x]: Package does not contain kernel modules.
[x]: ldconfig not called in %post and %postun for Fedora 28 and later.
[x]: Package does not contain any libtool archives (.la)
[x]: Package contains no static executables.
[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 (ASL 2.0).
[x]: License file installed when any subpackage combination is installed.
[x]: Package requires other packages for directories it uses.
[x]: Package owns all directories that it creates.
[x]: %build honors applicable compiler flags or justifies otherwise.
[x]: Package contains no bundled libraries without FPC exception.
[x]: Changelog in prescribed format.
[x]: Sources contain only permissible code or content.
[-]: Package does not contain desktop file (not 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.
[-]: The package is not a rename of another package.
[x]: Requires correct, justified where necessary.
[x]: Spec file is legible and written in American English.
[-]: Package does not contain systemd file(s).
[x]: Useful -debuginfo package or justification otherwise.
[x]: Package is not known to require an ExcludeArch tag.
[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.
     Note: There are rpmlint messages (see attachment).
[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]: The License field must be a valid SPDX expression.
[x]: Package does not own files or directories owned by other packages.
[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 must not depend on deprecated() packages.
[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]: Large documentation must go in a -doc subpackage. Large could be size
     (~1MB) or number of files.
     Note: Documentation size is 4127 bytes in 1 files.
[x]: Packages must not store files under /srv, /opt or /usr/local

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

Generic:
[-]: 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).
[?]: I did not test if the package functions as described.
[x]: Latest version is packaged (0.3.0).
[x]: Package does not include license text files separate from upstream.
[-]: Sources weren't verified with gpgverify (upstream does not publish
     signatures).
[?]: I did not test if the package compiles and builds 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]: Fully versioned dependency in subpackages if applicable.
[x]: Packager, Vendor, PreReq, Copyright tags should not be in spec file
[x]: The placement of pkgconfig(.pc) files are correct.
[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).
     Note: No rpmlint messages.
[x]: Rpmlint is run on all installed packages.
     Note: There are rpmlint messages (see attachment).
[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
-------
Checking: multicharge-0.3.0-3.fc42.x86_64.rpm
          multicharge-devel-0.3.0-3.fc42.x86_64.rpm
          multicharge-debuginfo-0.3.0-3.fc42.x86_64.rpm
          multicharge-debugsource-0.3.0-3.fc42.x86_64.rpm
          multicharge-0.3.0-3.fc42.src.rpm
======================================================================================================================================= rpmlint session starts ======================================================================================================================================
rpmlint: 2.5.0
configuration:
    /usr/lib/python3.12/site-packages/rpmlint/configdefaults.toml
    /etc/xdg/rpmlint/fedora-legacy-licenses.toml
    /etc/xdg/rpmlint/fedora-spdx-licenses.toml
    /etc/xdg/rpmlint/fedora.toml
    /etc/xdg/rpmlint/scoring.toml
    /etc/xdg/rpmlint/users-groups.toml
    /etc/xdg/rpmlint/warn-on-functions.toml
rpmlintrc: [PosixPath('/tmp/tmpibziy51v')]
checks: 32, packages: 5

multicharge.src: E: spelling-error ('Electronegativity', 'Summary(en_US) Electronegativity -> Electromagnetically')
multicharge.src: E: spelling-error ('equilibration', 'Summary(en_US) equilibration -> liberation')
multicharge.src: E: spelling-error ('Electronegativity', '%description -l en_US Electronegativity -> Electromagnetically')
multicharge.src: E: spelling-error ('equilibration', '%description -l en_US equilibration -> liberation')
multicharge.x86_64: E: spelling-error ('Electronegativity', 'Summary(en_US) Electronegativity -> Electromagnetically')
multicharge.x86_64: E: spelling-error ('equilibration', 'Summary(en_US) equilibration -> liberation')
multicharge.x86_64: E: spelling-error ('Electronegativity', '%description -l en_US Electronegativity -> Electromagnetically')
multicharge.x86_64: E: spelling-error ('equilibration', '%description -l en_US equilibration -> liberation')
multicharge-devel.x86_64: W: no-documentation
================================================================================================= 5 packages and 0 specfiles checked; 8 errors, 1 warnings, 39 filtered, 8 badness; has taken 1.9 s =================================================================================================




Rpmlint (debuginfo)
-------------------
Checking: multicharge-debuginfo-0.3.0-3.fc42.x86_64.rpm
======================================================================================================================================= rpmlint session starts ======================================================================================================================================
rpmlint: 2.5.0
configuration:
    /usr/lib/python3.12/site-packages/rpmlint/configdefaults.toml
    /etc/xdg/rpmlint/fedora-legacy-licenses.toml
    /etc/xdg/rpmlint/fedora-spdx-licenses.toml
    /etc/xdg/rpmlint/fedora.toml
    /etc/xdg/rpmlint/scoring.toml
    /etc/xdg/rpmlint/users-groups.toml
    /etc/xdg/rpmlint/warn-on-functions.toml
rpmlintrc: [PosixPath('/tmp/tmpopzt7dip')]
checks: 32, packages: 1

================================================================================================= 1 packages and 0 specfiles checked; 0 errors, 0 warnings, 12 filtered, 0 badness; has taken 0.6 s =================================================================================================





Rpmlint (installed packages)
----------------------------
============================ rpmlint session starts ============================
rpmlint: 2.5.0
configuration:
    /usr/lib/python3.13/site-packages/rpmlint/configdefaults.toml
    /etc/xdg/rpmlint/fedora-spdx-licenses.toml
    /etc/xdg/rpmlint/fedora.toml
    /etc/xdg/rpmlint/scoring.toml
    /etc/xdg/rpmlint/users-groups.toml
    /etc/xdg/rpmlint/warn-on-functions.toml
checks: 32, packages: 4

multicharge.x86_64: W: unused-direct-shlib-dependency /usr/bin/multicharge /lib64/libm.so.6
multicharge.x86_64: W: unused-direct-shlib-dependency /usr/bin/multicharge /lib64/libgcc_s.so.1


^^^ This is likely a false positive.

multicharge.x86_64: E: spelling-error ('Electronegativity', 'Summary(en_US) Electronegativity -> Electromagnetically')
multicharge.x86_64: E: spelling-error ('equilibration', 'Summary(en_US) equilibration -> liberation')
multicharge.x86_64: E: spelling-error ('Electronegativity', '%description -l en_US Electronegativity -> Electromagnetically')
multicharge.x86_64: E: spelling-error ('equilibration', '%description -l en_US equilibration -> liberation')
multicharge-devel.x86_64: W: no-documentation
 4 packages and 0 specfiles checked; 4 errors, 3 warnings, 36 filtered, 4 badness; has taken 2.4 s 



Source checksums
----------------
https://github.com/grimme-lab/multicharge/archive/v0.3.0/multicharge-0.3.0.tar.gz :
  CHECKSUM(SHA256) this package     : 2fcc1f80871f404f005e9db458ffaec95bb28a19516a0245278cd3175b63a6b2
  CHECKSUM(SHA256) upstream package : 2fcc1f80871f404f005e9db458ffaec95bb28a19516a0245278cd3175b63a6b2


Requires
--------
multicharge (rpmlib, GLIBC filtered):
    libc.so.6()(64bit)
    libflexiblas64.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)
    libgfortran.so.5()(64bit)
    libgfortran.so.5(GFORTRAN_10)(64bit)
    libgfortran.so.5(GFORTRAN_8)(64bit)
    libgomp.so.1()(64bit)
    libgomp.so.1(GOMP_1.0)(64bit)
    libgomp.so.1(GOMP_4.0)(64bit)
    libgomp.so.1(GOMP_5.0)(64bit)
    libm.so.6()(64bit)
    libmctc-lib.so.0()(64bit)
    libmulticharge.so.0()(64bit)
    rtld(GNU_HASH)

multicharge-devel (rpmlib, GLIBC filtered):
    /usr/bin/pkg-config
    libmulticharge.so.0()(64bit)
    multicharge(x86-64)
    pkgconfig(mctc-lib)

multicharge-debuginfo (rpmlib, GLIBC filtered):

multicharge-debugsource (rpmlib, GLIBC filtered):



Provides
--------
multicharge:
    libmulticharge.so.0()(64bit)
    multicharge
    multicharge(x86-64)

multicharge-devel:
    multicharge-devel
    multicharge-devel(x86-64)
    pkgconfig(multicharge)

multicharge-debuginfo:
    debuginfo(build-id)
    libmulticharge.so.0.3.0-0.3.0-3.fc42.x86_64.debug()(64bit)
    multicharge-debuginfo
    multicharge-debuginfo(x86-64)

multicharge-debugsource:
    multicharge-debugsource
    multicharge-debugsource(x86-64)



Generated by fedora-review 0.10.0 (e79b66b) last change: 2023-07-24
Command line :/usr/bin/fedora-review -v -b 2310391
Buildroot used: fedora-rawhide-x86_64
Active plugins: Generic, C/C++, Shell-api
Disabled plugins: Haskell, fonts, PHP, Ocaml, R, Java, SugarActivity, Perl, Python
Disabled flags: EXARCH, EPEL6, EPEL7, DISTTAG, BATCH


This package is

================
=== APPROVED ===
================

Comment 12 Fedora Admin user for bugzilla script actions 2024-09-10 07:01:07 UTC
The Pagure repository was created at https://src.fedoraproject.org/rpms/multicharge

Comment 13 Susi Lehtola 2024-09-10 07:07:06 UTC
Thanks for the review!

Comment 14 Fedora Update System 2024-09-10 09:42:38 UTC
FEDORA-2024-62d6632b4a (multicharge-0.3.0-3.fc41) has been submitted as an update to Fedora 41.
https://bodhi.fedoraproject.org/updates/FEDORA-2024-62d6632b4a

Comment 15 Fedora Update System 2024-09-11 02:28:19 UTC
FEDORA-2024-62d6632b4a has been pushed to the Fedora 41 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf install --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-62d6632b4a \*`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-62d6632b4a

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 16 Fedora Update System 2024-09-11 02:57:20 UTC
FEDORA-2024-000f090912 has been pushed to the Fedora 40 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf install --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-000f090912 \*`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-000f090912

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 17 Fedora Update System 2024-09-11 07:24:59 UTC
FEDORA-2024-a26e2b1b4c (mstore-0.3.0-2.fc40 and multicharge-0.3.0-3.fc40) has been submitted as an update to Fedora 40.
https://bodhi.fedoraproject.org/updates/FEDORA-2024-a26e2b1b4c

Comment 18 Fedora Update System 2024-09-12 02:43:32 UTC
FEDORA-2024-a26e2b1b4c has been pushed to the Fedora 40 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf upgrade --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-a26e2b1b4c`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-a26e2b1b4c

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 19 Fedora Update System 2024-09-13 18:06:58 UTC
FEDORA-2024-4be227e78d (dftd4-3.7.0-4.fc41, mstore-0.3.0-2.fc41, and 1 more) has been submitted as an update to Fedora 41.
https://bodhi.fedoraproject.org/updates/FEDORA-2024-4be227e78d

Comment 20 Fedora Update System 2024-09-14 02:29:11 UTC
FEDORA-2024-4be227e78d has been pushed to the Fedora 41 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf upgrade --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-4be227e78d`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-4be227e78d

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 21 Fedora Update System 2024-09-14 03:16:19 UTC
FEDORA-2024-a26e2b1b4c has been pushed to the Fedora 40 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf upgrade --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-a26e2b1b4c`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-a26e2b1b4c

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 22 Fedora Update System 2024-09-15 02:16:11 UTC
FEDORA-2024-4be227e78d has been pushed to the Fedora 41 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf upgrade --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-4be227e78d`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-4be227e78d

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 23 Fedora Update System 2024-09-15 12:14:03 UTC
FEDORA-2024-a26e2b1b4c has been pushed to the Fedora 40 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf upgrade --enablerepo=updates-testing --refresh --advisory=FEDORA-2024-a26e2b1b4c`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2024-a26e2b1b4c

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 24 Fedora Update System 2024-09-23 00:15:32 UTC
FEDORA-2024-4be227e78d (dftd4-3.7.0-4.fc41, mstore-0.3.0-2.fc41, and 2 more) has been pushed to the Fedora 41 stable repository.
If problem still persists, please make note of it in this bug report.

Comment 25 Fedora Update System 2024-09-23 01:24:13 UTC
FEDORA-2024-a26e2b1b4c (dftd4-3.7.0-4.fc40, mstore-0.3.0-2.fc40, and 2 more) has been pushed to the Fedora 40 stable repository.
If problem still persists, please make note of it in this bug report.


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