Created attachment 221136 [details] Patch to upgrade OpenBabel to 3.1.1 To upgrade science/v_sim, OpenBabel 3 is needed (see PR 252308), but ATM the port has 2.4.1. Release notes are available at <https://github.com/openbabel/openbabel/releases>. We could keep the actual port, and repocopy it to science/openbabel3, but since it only has 5 consumers in the ports tree, this does not seem very useful. The proposed patch upgrade science/openbabel to 3.1.1, and 4 other patches are attached for the consumers to chase this upgrade. - science_kalzium.diff for science/kalzium (since I'm there, it also define the licenses) - science_gchemutils.diff for science/gchemutils - science_molsketch.diff for science/molsketch simple upgrade to 0.7.0 which knows OpenBabel3 - science_xdrawchem.diff for science/xdrawchem with patches from https://github.com/bryanherger/xdrawchem/pull/17
Created attachment 221137 [details] science/kalzium: chase openbabel to 3 + set licenses Patch to chase OpenBabel 3 to science/kalzium + set licenses.
Created attachment 221138 [details] science/gchemutils: chase the upgrade of OpenBabel to 3 science/gchemutils: chase the upgrade of OpenBabel to 3.
Created attachment 221139 [details] science/molsketch: upgrade to 0.7.0 science/molsketch: Just upgrade to 0.7.0 which knows OpenBabel.
Created attachment 221140 [details] science/xdrawchem: chase the upgrade to OpenBabel 3 science/xdrawchem: chase the upgrade to OpenBabel 3
Adding KDE, maintainer of science/kalzium.
Moin moin You might just want to add https://invent.kde.org/education/kalzium/commit/2b9ebd85.patch to science/kalzium mfg Tobias
A commit references this bug: Author: tcberner Date: Mon Jan 11 21:46:48 UTC 2021 New revision: 561281 URL: https://svnweb.freebsd.org/changeset/ports/561281 Log: science/kalzium: add support for OpenBable 3.x - Add upstream patch PR: 252309 Reported by: thierry Obtained from: https://invent.kde.org/education/kalzium/commit/2b9ebd85 Changes: head/science/kalzium/Makefile head/science/kalzium/distinfo
This update also breaks science/v_sim.
(In reply to Yuri Victorovich from comment #8) The aim of all this stuff is to be able to upgrade v_sim: see PR 252308 (directly available in the field "Blocks").
(In reply to Thierry Thomas from comment #9) Ah, I see. Sorry, I missed the "Blocks" field. -)
Committed with modifications. Thank you for submitting the patches, Thierry.
A commit references this bug: Author: yuri Date: Wed Jan 13 00:31:41 UTC 2021 New revision: 561406 URL: https://svnweb.freebsd.org/changeset/ports/561406 Log: science/openbabel: Upgrade 2.4.1 -> 3.1.1 PR: 252309 Submitted by: thierry Changes: head/science/gchemutils/Makefile head/science/kalzium/Makefile head/science/luscus/Makefile head/science/molsketch/Makefile head/science/molsketch/distinfo head/science/molsketch/pkg-plist head/science/xdrawchem/Makefile head/science/xdrawchem/files/ head/science/xdrawchem/files/patch-xdrawchem.pro head/science/xdrawchem/files/patch-xdrawchem_ioiface.cpp head/science/xdrawchem/files/patch-xdrawchem_ioiface.h head/science/xdrawchem/files/patch-xdrawchem_molecule.h head/science/xdrawchem/files/patch-xdrawchem_molecule__obmol.cpp head/science/xdrawchem/files/patch-xdrawchem_molecule__smiles.cpp
A commit references this bug: Author: tcberner Date: Wed Jan 13 09:13:49 UTC 2021 New revision: 561445 URL: https://svnweb.freebsd.org/changeset/ports/561445 Log: science/kalzium: revrse unnecessary patching - OpenBabel3 support was added in r561281 via a patch obtained from upstream - The patching done in r561406 is therefore not necessary PR: 252309 Changes: head/science/kalzium/Makefile