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Tue, 24 May 2022 01:34:20 GMT (envelope-from git) Date: Tue, 24 May 2022 01:34:20 GMT Message-Id: <202205240134.24O1YKG1066957@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: d37139d26d5d - main - science/cp2k-data: Update 7.1.0 -> 9.1.0 List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@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: d37139d26d5d6be92a60858e4b2336e978b2430d Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1653356060; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=d37139d26d5d6be92a60858e4b2336e978b2430d commit d37139d26d5d6be92a60858e4b2336e978b2430d Author: Yuri Victorovich AuthorDate: 2022-05-23 23:05:27 +0000 Commit: Yuri Victorovich 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