git: d37139d26d5d - main - science/cp2k-data: Update 7.1.0 -> 9.1.0

Go to: [ bottom of page ] [ top of archives ] [ this month ]
From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Tue, 24 May 2022 01:34:20 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=d37139d26d5d6be92a60858e4b2336e978b2430d

commit d37139d26d5d6be92a60858e4b2336e978b2430d
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-05-23 23:05:27 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-05-24 01:34:17 +0000

    science/cp2k-data: Update 7.1.0 -> 9.1.0
---
 science/cp2k-data/Makefile  |  2 +-
 science/cp2k-data/distinfo  |  6 +++---
 science/cp2k-data/pkg-plist | 41 ++++++++++++++++++++++++++++++++++++++++-
 3 files changed, 44 insertions(+), 5 deletions(-)

diff --git a/science/cp2k-data/Makefile b/science/cp2k-data/Makefile
index 9570a55a9cb8..6e70066d6512 100644
--- a/science/cp2k-data/Makefile
+++ b/science/cp2k-data/Makefile
@@ -1,6 +1,6 @@
 PORTNAME=	cp2k-data
 DISTVERSIONPREFIX=	v
-DISTVERSION=	7.1.0
+DISTVERSION=	9.1.0
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
diff --git a/science/cp2k-data/distinfo b/science/cp2k-data/distinfo
index 570c13a55645..25011c281144 100644
--- a/science/cp2k-data/distinfo
+++ b/science/cp2k-data/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1577257727
-SHA256 (cp2k-cp2k-v7.1.0_GH0.tar.gz) = e244f76d7e1e98da7e4e4b2e6cefb723fa1205cfae4f94739413be74952e8b4e
-SIZE (cp2k-cp2k-v7.1.0_GH0.tar.gz) = 79174425
+TIMESTAMP = 1653346897
+SHA256 (cp2k-cp2k-v9.1.0_GH0.tar.gz) = e0cd859e506435a38454eeaaa3bc2c1656ffd5d22698062957c84f8b4f426126
+SIZE (cp2k-cp2k-v9.1.0_GH0.tar.gz) = 76638939
diff --git a/science/cp2k-data/pkg-plist b/science/cp2k-data/pkg-plist
index 6dec99a22097..eaf23bff58e8 100644
--- a/science/cp2k-data/pkg-plist
+++ b/science/cp2k-data/pkg-plist
@@ -1,15 +1,20 @@
 %%DATADIR%%/ALL_BASIS_SETS
 %%DATADIR%%/ALL_POTENTIALS
+%%DATADIR%%/AcPP1_POTENTIALS
 %%DATADIR%%/BASIS_ADMM
 %%DATADIR%%/BASIS_ADMM_MOLOPT
+%%DATADIR%%/BASIS_ADMM_UZH
 %%DATADIR%%/BASIS_LRIGPW_AUXMOLOPT
 %%DATADIR%%/BASIS_MINIX
 %%DATADIR%%/BASIS_MOLOPT
+%%DATADIR%%/BASIS_MOLOPT_AcPP1
 %%DATADIR%%/BASIS_MOLOPT_LnPP1
 %%DATADIR%%/BASIS_MOLOPT_UCL
+%%DATADIR%%/BASIS_MOLOPT_UZH
 %%DATADIR%%/BASIS_RI_cc-TZ
 %%DATADIR%%/BASIS_SET
 %%DATADIR%%/BASIS_ZIJLSTRA
+%%DATADIR%%/BASIS_ccGRB_UZH
 %%DATADIR%%/BASIS_def2_QZVP_RI_ALL
 %%DATADIR%%/BASIS_pob
 %%DATADIR%%/DFTB/nonscc/bb
@@ -135,8 +140,42 @@
 %%DATADIR%%/LnPP1_POTENTIALS
 %%DATADIR%%/MM_POTENTIAL
 %%DATADIR%%/NLCC_POTENTIALS
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/README.md
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.008.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/input.nn
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data
+%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data
 %%DATADIR%%/POTENTIAL
-%%DATADIR%%/README
+%%DATADIR%%/POTENTIAL_UZH
+%%DATADIR%%/README.md
 %%DATADIR%%/dftd3.dat
 %%DATADIR%%/nm12_parameters.xml
 %%DATADIR%%/rVV10_kernel_table.dat