diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2025-07-27 11:14:25 -0700 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2025-07-27 21:26:17 -0700 |
| commit | 7b18bfc038d427ba7235f60fceb1d71ea25c70f1 (patch) | |
| tree | db594e8b03a475834196b281d9dd23cead55f26e | |
| parent | science/agrum: update 2.1.1 → 2.2.0 (diff) | |
science/tinker: update 8.11.3 → 25.3
| -rw-r--r-- | science/tinker/Makefile | 3 | ||||
| -rw-r--r-- | science/tinker/distinfo | 6 | ||||
| -rw-r--r-- | science/tinker/pkg-plist | 14 |
3 files changed, 15 insertions, 8 deletions
diff --git a/science/tinker/Makefile b/science/tinker/Makefile index c5b9b72ff278..a62f2268609b 100644 --- a/science/tinker/Makefile +++ b/science/tinker/Makefile @@ -1,6 +1,5 @@ PORTNAME= tinker -DISTVERSION= 8.11.3 -PORTREVISION= 1 +DISTVERSION= 25.3 CATEGORIES= science MASTER_SITES= https://dasher.wustl.edu/tinker/downloads/ diff --git a/science/tinker/distinfo b/science/tinker/distinfo index 6c20209908c4..7ca60014bed4 100644 --- a/science/tinker/distinfo +++ b/science/tinker/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1719188902 -SHA256 (tinker-8.11.3.tar.gz) = 8dfbc9fb8f26742d91139187657e2c905744b0243538f81b75bc04cdc2606ff7 -SIZE (tinker-8.11.3.tar.gz) = 73256260 +TIMESTAMP = 1753634645 +SHA256 (tinker-25.3.tar.gz) = d536f1d4d0d7d4394b3b3d88a52cf12ed3489312ac2ad9c6ce4d198bd681e36c +SIZE (tinker-25.3.tar.gz) = 80772142 diff --git a/science/tinker/pkg-plist b/science/tinker/pkg-plist index 286fc0abcadd..b0f9367ade44 100644 --- a/science/tinker/pkg-plist +++ b/science/tinker/pkg-plist @@ -64,6 +64,8 @@ bin/xyzint bin/xyzmol2 bin/xyzpdb %%DATADIR%%/params/0README +%%DATADIR%%/params/amber14sb.prm +%%DATADIR%%/params/amber19sb.prm %%DATADIR%%/params/amber94.prm %%DATADIR%%/params/amber96.prm %%DATADIR%%/params/amber98.prm @@ -82,7 +84,8 @@ bin/xyzpdb %%DATADIR%%/params/basic.prm %%DATADIR%%/params/charmm19.prm %%DATADIR%%/params/charmm22.prm -%%DATADIR%%/params/charmm22cmap.prm +%%DATADIR%%/params/charmm27.prm +%%DATADIR%%/params/charmm36.prm %%DATADIR%%/params/dang.prm %%DATADIR%%/params/hippo19.prm %%DATADIR%%/params/hoch.prm @@ -90,8 +93,9 @@ bin/xyzpdb %%DATADIR%%/params/mm2.prm %%DATADIR%%/params/mm3.prm %%DATADIR%%/params/mm3pro.prm -%%DATADIR%%/params/mmff.prm -%%DATADIR%%/params/oplsaa.prm +%%DATADIR%%/params/mmff94.prm +%%DATADIR%%/params/mmff94s.prm +%%DATADIR%%/params/oplsaa08.prm %%DATADIR%%/params/oplsaal.prm %%DATADIR%%/params/oplsua.prm %%DATADIR%%/params/smoothaa.prm @@ -206,6 +210,10 @@ bin/xyzpdb %%DATADIR%%/test/polyala.key %%DATADIR%%/test/polyala.log %%DATADIR%%/test/polyala.run +%%DATADIR%%/test/pyridine.dat +%%DATADIR%%/test/pyridine.log +%%DATADIR%%/test/pyridine.run +%%DATADIR%%/test/pyridine.xyz %%DATADIR%%/test/salt.cell %%DATADIR%%/test/salt.key %%DATADIR%%/test/salt.log |