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Mon, 6 May 2024 08:23:32 GMT (envelope-from git) Date: Mon, 6 May 2024 08:23:32 GMT Message-Id: <202405060823.4468NWXX023738@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: d9cc41090e3c - main - science/tinker: update 8.11.1 =?utf-8?Q?=E2=86=92?= 8.11.2 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: d9cc41090e3c2fcbac67b2b37679f167257fbafa Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=d9cc41090e3c2fcbac67b2b37679f167257fbafa commit d9cc41090e3c2fcbac67b2b37679f167257fbafa Author: Yuri Victorovich AuthorDate: 2024-05-06 08:18:53 +0000 Commit: Yuri Victorovich CommitDate: 2024-05-06 08:23:25 +0000 science/tinker: update 8.11.1 → 8.11.2 --- science/tinker/Makefile | 2 +- science/tinker/distinfo | 6 +++--- science/tinker/files/patch-make_Makefile | 10 +++++----- science/tinker/pkg-plist | 5 ++++- 4 files changed, 13 insertions(+), 10 deletions(-) diff --git a/science/tinker/Makefile b/science/tinker/Makefile index 6de3707bb4d7..209d96af7e6a 100644 --- a/science/tinker/Makefile +++ b/science/tinker/Makefile @@ -1,5 +1,5 @@ PORTNAME= tinker -DISTVERSION= 8.11.1 +DISTVERSION= 8.11.2 CATEGORIES= science MASTER_SITES= https://dasher.wustl.edu/tinker/downloads/ diff --git a/science/tinker/distinfo b/science/tinker/distinfo index 7f0aa845abc3..e044bef304ac 100644 --- a/science/tinker/distinfo +++ b/science/tinker/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1713071651 -SHA256 (tinker-8.11.1.tar.gz) = cdbf2dfb5e43c3438b27ac8b767c9290ae2948e62333149babd72a6811963731 -SIZE (tinker-8.11.1.tar.gz) = 74273877 +TIMESTAMP = 1714980546 +SHA256 (tinker-8.11.2.tar.gz) = 26e9a634eec62c6ce951c0c60464087cf2fae905573c7047db462777397209b3 +SIZE (tinker-8.11.2.tar.gz) = 72151636 diff --git a/science/tinker/files/patch-make_Makefile b/science/tinker/files/patch-make_Makefile index e1f412c1b22f..4b7b308532ab 100644 --- a/science/tinker/files/patch-make_Makefile +++ b/science/tinker/files/patch-make_Makefile @@ -1,14 +1,14 @@ ---- make/Makefile.orig 2024-04-08 01:19:41 UTC +--- make/Makefile.orig 2024-05-04 16:08:28 UTC +++ make/Makefile -@@ -86,7 +86,7 @@ F77FLAGS = -c +@@ -68,7 +68,7 @@ F77FLAGS = -c F77 = gfortran F77FLAGS = -c -OPTFLAGS = -Ofast -march=native -fopenmp +OPTFLAGS = -Ofast $(PORT_SIMD_FLAGS) -fopenmp - #OPTFLAGS = -Ofast -fopenmp - #OPTFLAGS = -Og -g -fbacktrace -fcheck=bounds -Wunused -Wmaybe-uninitialized - LIBDIR = -L. -L$(TINKER_LIBDIR)/macos + OPTFLAGS = -Ofast -fopenmp + OPTFLAGS = -Og -g -fbacktrace -fcheck=bounds -Wunused -Wmaybe-uninitialized + LIBDIR = -L. -L$(TINKER_LIBDIR)/linux -Wl,--no-as-needed -ldl @@ -829,138 +829,138 @@ rename_bin: cat *.f *.c > tinker.txt diff --git a/science/tinker/pkg-plist b/science/tinker/pkg-plist index 04f2dc7f3175..a04403c2275f 100644 --- a/science/tinker/pkg-plist +++ b/science/tinker/pkg-plist @@ -64,6 +64,7 @@ bin/xyzint bin/xyzmol2 bin/xyzpdb %%DATADIR%%/params/0README +%%DATADIR%%/params/amber14sb.prm %%DATADIR%%/params/amber94.prm %%DATADIR%%/params/amber96.prm %%DATADIR%%/params/amber98.prm @@ -71,8 +72,8 @@ bin/xyzpdb %%DATADIR%%/params/amber99sb.prm %%DATADIR%%/params/amoeba04.prm %%DATADIR%%/params/amoeba09.prm +%%DATADIR%%/params/amoebabio-hfc23.prm %%DATADIR%%/params/amoebabio09.prm -%%DATADIR%%/params/amoebabio18-hfc23.prm %%DATADIR%%/params/amoebabio18.prm %%DATADIR%%/params/amoebail22.prm %%DATADIR%%/params/amoebanuc17.prm @@ -84,6 +85,7 @@ bin/xyzpdb %%DATADIR%%/params/charmm22.prm %%DATADIR%%/params/charmm22cmap.prm %%DATADIR%%/params/dang.prm +%%DATADIR%%/params/hippo19.prm %%DATADIR%%/params/hoch.prm %%DATADIR%%/params/iwater.prm %%DATADIR%%/params/mm2.prm @@ -92,6 +94,7 @@ bin/xyzpdb %%DATADIR%%/params/mmff.prm %%DATADIR%%/params/oplsaa.prm %%DATADIR%%/params/oplsaal.prm +%%DATADIR%%/params/oplsaam.prm %%DATADIR%%/params/oplsua.prm %%DATADIR%%/params/smoothaa.prm %%DATADIR%%/params/smoothua.prm