Description of problem:
Can not install NwChem in Fedora 28 using DNF
Version-Release number of selected component (if applicable):
Steps to reproduce:
dnf install nwchem*
Última verificação de data de vencimento de metadados: 0:25:37 atrás em qua 02 mai 2018 10:31:10 -03.
Problema 1: conflicting requests
- nothing provides libgfortran.so.4()(64bit) needed by nwchem-mpich-6.6.27746-32.fc27.x86_64
Problema 2: conflicting requests
- nothing provides libgfortran.so.4()(64bit) needed by nwchem-openmpi-6.6.27746-32.fc27.x86_64
This related to bug #1514542, the nwchem RPM is old.
Currently https://github.com/nwchemgit/nwchem/issues/41 is preventing me from building nwchem on rawhide.
Moreover, I need to start bundling ga in nwchem RPM, since we cannot rely on Fedora/EPEL providing the right version of ga for every nwchem release (see bug #1432661). I wonder whether there is still any "official" way for approving bundling in Fedora/EPEL.
On f28 you could use https://koji.fedoraproject.org/koji/taskinfo?taskID=26807878 in the meantime. Please test whether scalapack support is compiled properly.
Marcin, not only NWChem is broken in Fedora 28. All quantum chemistry packages are: CP2K, quantum-espresso, openmx, exciting...
So far, only Elk is working.
As you see from https://github.com/nwchemgit/nwchem/issues/40, we have a problem with nwchem, since it depends on ga, and ga does not seem to be maintained.
I've rebuilt elk manually recently.
If dependencies like gfortran are missing/incorrect then something went wrong with the fedora mass rebuild process which is run at major changes to the compiler packages. For other packages that fail to install you found, please open the corresponding bugs providing the failure for each of them - if the mass rebuild failed, the missing dependencies may be different for each of these packages.
Normally a tracker bug is created in such situations, depending how many components are broken, like this one https://bugzilla.redhat.com/show_bug.cgi?id=1555378, but please don't add to this bug since it's a different problem.
We have 8 weeks until nwchem will be orphaned (since bug #1583096 has been submitted).
I won't maintain nwchem without a new ga in Fedora/EPEL.
I've tried to contact the maintainer of ga through bugzilla bug #1432661, without response. Maybe you could try to reach to the maintainer personally by email?
I'll give it a try, Marcin. It would be a great loss for Fedora.
I have contacted the maintainer. If everything fails would you consider maintaining a COPR for Nwchem?
edoapra prepared an updated ga.spec https://github.com/edoapra/fedpkg, and I'm trying to take over ga maintenance according to https://fedoraproject.org/wiki/Policy_for_nonresponsive_package_maintainers, currently at step 5.
I have received a reply from David.
"I’ve not had time to make the required updates for GA and I don’t foresee being able to continue maintaining the package. If you would like to take it over feel free to start the process.
Thanks for taking the package, Marcin.
Thanks, since you managed to establish a contact with David, could you ask him to add me (marcindulak) as ga co-maintainer? This setting is available directly at https://src.fedoraproject.org/rpms/ga/settings instead of going through the drastic https://fedoraproject.org/wiki/Policy_for_nonresponsive_package_maintainers.
nwchem-6.8.1-4.fc28 has been submitted as an update to Fedora 28. https://bodhi.fedoraproject.org/updates/FEDORA-2018-dccd733c0a
nwchem-6.8.1-4.fc28 has been pushed to the Fedora 28 testing repository. If problems still persist, please make note of it in this bug report.
See https://fedoraproject.org/wiki/QA:Updates_Testing for
instructions on how to install test updates.
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2018-dccd733c0a
nwchem-6.8.1-4.fc28 has been pushed to the Fedora 28 stable repository. If problems still persist, please make note of it in this bug report.