Date: Sun, 23 Nov 2025 20:09:13 +0000 From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 7f9483a0939a - main - science/tinker: update 25=?utf-8?Q?=2E5.2 =E2=86=92?= 25.5.4 Message-ID: <692369e9.2cab9.7d4e27d5@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=7f9483a0939aec112a4ea83bd76476c0fd959174 commit 7f9483a0939aec112a4ea83bd76476c0fd959174 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2025-11-23 18:22:54 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2025-11-23 20:09:00 +0000 science/tinker: update 25.5.2 → 25.5.4 --- science/tinker/Makefile | 2 +- science/tinker/distinfo | 6 +- science/tinker/files/patch-make_Makefile | 140 ++----------------------------- science/tinker/pkg-plist | 3 +- 4 files changed, 11 insertions(+), 140 deletions(-) diff --git a/science/tinker/Makefile b/science/tinker/Makefile index 3a5cb18b0c75..f66cb43850b0 100644 --- a/science/tinker/Makefile +++ b/science/tinker/Makefile @@ -1,6 +1,6 @@ PORTNAME= tinker DISTVERSIONPREFIX= v -DISTVERSION= 25.5.2 +DISTVERSION= 25.5.4 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/tinker/distinfo b/science/tinker/distinfo index da2498d5f92a..c80318510948 100644 --- a/science/tinker/distinfo +++ b/science/tinker/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1760108472 -SHA256 (TinkerTools-tinker-v25.5.2_GH0.tar.gz) = 3a474a892892ab0b77a86599dd57c17731c64c363af7e48cfe6915a6d4276df6 -SIZE (TinkerTools-tinker-v25.5.2_GH0.tar.gz) = 34670489 +TIMESTAMP = 1763921430 +SHA256 (TinkerTools-tinker-v25.5.4_GH0.tar.gz) = 410d02d3fe7b42b124cc38cef8cf3c077037a099465c799259f60bdae4e367b2 +SIZE (TinkerTools-tinker-v25.5.4_GH0.tar.gz) = 34197683 diff --git a/science/tinker/files/patch-make_Makefile b/science/tinker/files/patch-make_Makefile index 7e1f679a86a0..b92cb6e976c7 100644 --- a/science/tinker/files/patch-make_Makefile +++ b/science/tinker/files/patch-make_Makefile @@ -1,6 +1,6 @@ ---- make/Makefile.orig 2025-09-30 16:25:57 UTC +--- make/Makefile.orig 2025-11-21 04:02:18 UTC +++ make/Makefile -@@ -813,138 +813,138 @@ rename_bin: +@@ -818,72 +818,72 @@ rename_bin: cat *.f *.c > tinker.txt rename_bin: @@ -20,6 +20,7 @@ - mv gda.x $(BINDIR)/gda - mv intedit.x $(BINDIR)/intedit - mv intxyz.x $(BINDIR)/intxyz +- mv mdavg.x $(BINDIR)/mdavg - mv minimize.x $(BINDIR)/minimize - mv minirot.x $(BINDIR)/minirot - mv minrigid.x $(BINDIR)/minrigid @@ -85,6 +86,7 @@ + ${BSD_INSTALL_PROGRAM} gda.x $(BINDIR)/gda + ${BSD_INSTALL_PROGRAM} intedit.x $(BINDIR)/intedit + ${BSD_INSTALL_PROGRAM} intxyz.x $(BINDIR)/intxyz ++ ${BSD_INSTALL_PROGRAM} mdavg.x $(BINDIR)/mdavg + ${BSD_INSTALL_PROGRAM} minimize.x $(BINDIR)/minimize + ${BSD_INSTALL_PROGRAM} minirot.x $(BINDIR)/minirot + ${BSD_INSTALL_PROGRAM} minrigid.x $(BINDIR)/minrigid @@ -136,136 +138,4 @@ + ${BSD_INSTALL_PROGRAM} xyzpdb.x $(BINDIR)/xyzpdb rename_exe: -- mv alchemy.x $(BINDIR)/alchemy.exe -- mv analyze.x $(BINDIR)/analyze.exe -- mv anneal.x $(BINDIR)/anneal.exe -- mv arcedit.x $(BINDIR)/arcedit.exe -- mv bar.x $(BINDIR)/bar.exe -- mv correlate.x $(BINDIR)/correlate.exe -- mv critical.x $(BINDIR)/critical.exe -- mv crystal.x $(BINDIR)/crystal.exe -- mv diffuse.x $(BINDIR)/diffuse.exe -- mv distgeom.x $(BINDIR)/distgeom.exe -- mv document.x $(BINDIR)/document.exe -- mv dynamic.x $(BINDIR)/dynamic.exe -- mv freefix.x $(BINDIR)/freefix.exe -- mv gda.x $(BINDIR)/gda.exe -- mv intedit.x $(BINDIR)/intedit.exe -- mv intxyz.x $(BINDIR)/intxyz.exe -- mv minimize.x $(BINDIR)/minimize.exe -- mv minirot.x $(BINDIR)/minirot.exe -- mv minrigid.x $(BINDIR)/minrigid.exe -- mv mol2xyz.x $(BINDIR)/mol2xyz.exe -- mv molxyz.x $(BINDIR)/molxyz.exe -- mv monte.x $(BINDIR)/monte.exe -- mv newton.x $(BINDIR)/newton.exe -- mv newtrot.x $(BINDIR)/newtrot.exe -- mv nucleic.x $(BINDIR)/nucleic.exe -- mv optimize.x $(BINDIR)/optimize.exe -- mv optirot.x $(BINDIR)/optirot.exe -- mv optrigid.x $(BINDIR)/optrigid.exe -- mv path.x $(BINDIR)/path.exe -- mv pdbxyz.x $(BINDIR)/pdbxyz.exe -- mv polarize.x $(BINDIR)/polarize.exe -- mv poledit.x $(BINDIR)/poledit.exe -- mv potential.x $(BINDIR)/potential.exe -- mv prmedit.x $(BINDIR)/prmedit.exe -- mv protein.x $(BINDIR)/protein.exe -- mv pss.x $(BINDIR)/pss.exe -- mv pssrigid.x $(BINDIR)/pssrigid.exe -- mv pssrot.x $(BINDIR)/pssrot.exe -- mv radial.x $(BINDIR)/radial.exe -- mv saddle.x $(BINDIR)/saddle.exe -- mv scan.x $(BINDIR)/scan.exe -- mv sniffer.x $(BINDIR)/sniffer.exe -- mv spacefill.x $(BINDIR)/spacefill.exe -- mv spectrum.x $(BINDIR)/spectrum.exe -- mv superpose.x $(BINDIR)/superpose.exe -- mv testgrad.x $(BINDIR)/testgrad.exe -- mv testhess.x $(BINDIR)/testhess.exe -- mv testpair.x $(BINDIR)/testpair.exe -- mv testpol.x $(BINDIR)/testpol.exe -- mv testrot.x $(BINDIR)/testrot.exe -- mv testsurf.x $(BINDIR)/testsurf.exe -- mv testvir.x $(BINDIR)/testvir.exe -- mv timer.x $(BINDIR)/timer.exe -- mv timerot.x $(BINDIR)/timerot.exe -- mv torsfit.x $(BINDIR)/torsfit.exe -- mv valence.x $(BINDIR)/valence.exe -- mv vibbig.x $(BINDIR)/vibbig.exe -- mv vibrate.x $(BINDIR)/vibrate.exe -- mv vibrot.x $(BINDIR)/vibrot.exe -- mv xtalfit.x $(BINDIR)/xtalfit.exe -- mv xtalmin.x $(BINDIR)/xtalmin.exe -- mv xyzedit.x $(BINDIR)/xyzedit.exe -- mv xyzint.x $(BINDIR)/xyzint.exe -- mv xyzmol2.x $(BINDIR)/xyzmol2.exe -- mv xyzpdb.x $(BINDIR)/xyzpdb.exe -+ ${BSD_INSTALL_PROGRAM} alchemy.x $(BINDIR)/alchemy.exe -+ ${BSD_INSTALL_PROGRAM} analyze.x $(BINDIR)/analyze.exe -+ ${BSD_INSTALL_PROGRAM} anneal.x $(BINDIR)/anneal.exe -+ ${BSD_INSTALL_PROGRAM} arcedit.x $(BINDIR)/arcedit.exe -+ ${BSD_INSTALL_PROGRAM} bar.x $(BINDIR)/bar.exe -+ ${BSD_INSTALL_PROGRAM} correlate.x $(BINDIR)/correlate.exe -+ ${BSD_INSTALL_PROGRAM} critical.x $(BINDIR)/critical.exe -+ ${BSD_INSTALL_PROGRAM} crystal.x $(BINDIR)/crystal.exe -+ ${BSD_INSTALL_PROGRAM} diffuse.x $(BINDIR)/diffuse.exe -+ ${BSD_INSTALL_PROGRAM} distgeom.x $(BINDIR)/distgeom.exe -+ ${BSD_INSTALL_PROGRAM} document.x $(BINDIR)/document.exe -+ ${BSD_INSTALL_PROGRAM} dynamic.x $(BINDIR)/dynamic.exe -+ ${BSD_INSTALL_PROGRAM} freefix.x $(BINDIR)/freefix.exe -+ ${BSD_INSTALL_PROGRAM} gda.x $(BINDIR)/gda.exe -+ ${BSD_INSTALL_PROGRAM} intedit.x $(BINDIR)/intedit.exe -+ ${BSD_INSTALL_PROGRAM} intxyz.x $(BINDIR)/intxyz.exe -+ ${BSD_INSTALL_PROGRAM} minimize.x $(BINDIR)/minimize.exe -+ ${BSD_INSTALL_PROGRAM} minirot.x $(BINDIR)/minirot.exe -+ ${BSD_INSTALL_PROGRAM} minrigid.x $(BINDIR)/minrigid.exe -+ ${BSD_INSTALL_PROGRAM} mol2xyz.x $(BINDIR)/mol2xyz.exe -+ ${BSD_INSTALL_PROGRAM} molxyz.x $(BINDIR)/molxyz.exe -+ ${BSD_INSTALL_PROGRAM} monte.x $(BINDIR)/monte.exe -+ ${BSD_INSTALL_PROGRAM} newton.x $(BINDIR)/newton.exe -+ ${BSD_INSTALL_PROGRAM} newtrot.x $(BINDIR)/newtrot.exe -+ ${BSD_INSTALL_PROGRAM} nucleic.x $(BINDIR)/nucleic.exe -+ ${BSD_INSTALL_PROGRAM} optimize.x $(BINDIR)/optimize.exe -+ ${BSD_INSTALL_PROGRAM} optirot.x $(BINDIR)/optirot.exe -+ ${BSD_INSTALL_PROGRAM} optrigid.x $(BINDIR)/optrigid.exe -+ ${BSD_INSTALL_PROGRAM} path.x $(BINDIR)/path.exe -+ ${BSD_INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz.exe -+ ${BSD_INSTALL_PROGRAM} polarize.x $(BINDIR)/polarize.exe -+ ${BSD_INSTALL_PROGRAM} poledit.x $(BINDIR)/poledit.exe -+ ${BSD_INSTALL_PROGRAM} potential.x $(BINDIR)/potential.exe -+ ${BSD_INSTALL_PROGRAM} prmedit.x $(BINDIR)/prmedit.exe -+ ${BSD_INSTALL_PROGRAM} protein.x $(BINDIR)/protein.exe -+ ${BSD_INSTALL_PROGRAM} pss.x $(BINDIR)/pss.exe -+ ${BSD_INSTALL_PROGRAM} pssrigid.x $(BINDIR)/pssrigid.exe -+ ${BSD_INSTALL_PROGRAM} pssrot.x $(BINDIR)/pssrot.exe -+ ${BSD_INSTALL_PROGRAM} radial.x $(BINDIR)/radial.exe -+ ${BSD_INSTALL_PROGRAM} saddle.x $(BINDIR)/saddle.exe -+ ${BSD_INSTALL_PROGRAM} scan.x $(BINDIR)/scan.exe -+ ${BSD_INSTALL_PROGRAM} sniffer.x $(BINDIR)/sniffer.exe -+ ${BSD_INSTALL_PROGRAM} spacefill.x $(BINDIR)/spacefill.exe -+ ${BSD_INSTALL_PROGRAM} spectrum.x $(BINDIR)/spectrum.exe -+ ${BSD_INSTALL_PROGRAM} superpose.x $(BINDIR)/superpose.exe -+ ${BSD_INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad.exe -+ ${BSD_INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess.exe -+ ${BSD_INSTALL_PROGRAM} testpair.x $(BINDIR)/testpair.exe -+ ${BSD_INSTALL_PROGRAM} testpol.x $(BINDIR)/testpol.exe -+ ${BSD_INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot.exe -+ ${BSD_INSTALL_PROGRAM} testsurf.x $(BINDIR)/testsurf.exe -+ ${BSD_INSTALL_PROGRAM} testvir.x $(BINDIR)/testvir.exe -+ ${BSD_INSTALL_PROGRAM} timer.x $(BINDIR)/timer.exe -+ ${BSD_INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot.exe -+ ${BSD_INSTALL_PROGRAM} torsfit.x $(BINDIR)/torsfit.exe -+ ${BSD_INSTALL_PROGRAM} valence.x $(BINDIR)/valence.exe -+ ${BSD_INSTALL_PROGRAM} vibbig.x $(BINDIR)/vibbig.exe -+ ${BSD_INSTALL_PROGRAM} vibrate.x $(BINDIR)/vibrate.exe -+ ${BSD_INSTALL_PROGRAM} vibrot.x $(BINDIR)/vibrot.exe -+ ${BSD_INSTALL_PROGRAM} xtalfit.x $(BINDIR)/xtalfit.exe -+ ${BSD_INSTALL_PROGRAM} xtalmin.x $(BINDIR)/xtalmin.exe -+ ${BSD_INSTALL_PROGRAM} xyzedit.x $(BINDIR)/xyzedit.exe -+ ${BSD_INSTALL_PROGRAM} xyzint.x $(BINDIR)/xyzint.exe -+ ${BSD_INSTALL_PROGRAM} xyzmol2.x $(BINDIR)/xyzmol2.exe -+ ${BSD_INSTALL_PROGRAM} xyzpdb.x $(BINDIR)/xyzpdb.exe - - remove_links: - rm -f $(LINKDIR)/alchemy + mv alchemy.x $(BINDIR)/alchemy.exe diff --git a/science/tinker/pkg-plist b/science/tinker/pkg-plist index b0f9367ade44..cf05ef8ea37c 100644 --- a/science/tinker/pkg-plist +++ b/science/tinker/pkg-plist @@ -14,6 +14,7 @@ bin/freefix bin/gda bin/intedit bin/intxyz +bin/mdavg bin/minimize bin/minirot bin/minrigid @@ -85,7 +86,7 @@ bin/xyzpdb %%DATADIR%%/params/charmm19.prm %%DATADIR%%/params/charmm22.prm %%DATADIR%%/params/charmm27.prm -%%DATADIR%%/params/charmm36.prm +%%DATADIR%%/params/charmm36m.prm %%DATADIR%%/params/dang.prm %%DATADIR%%/params/hippo19.prm %%DATADIR%%/params/hoch.prmhome | help
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