diff options
Diffstat (limited to 'science/cp2k-data')
| -rw-r--r-- | science/cp2k-data/Makefile | 2 | ||||
| -rw-r--r-- | science/cp2k-data/distinfo | 6 | ||||
| -rw-r--r-- | science/cp2k-data/pkg-plist | 15 |
3 files changed, 18 insertions, 5 deletions
diff --git a/science/cp2k-data/Makefile b/science/cp2k-data/Makefile index 8bc9337cd7b9..bc2ad72bb356 100644 --- a/science/cp2k-data/Makefile +++ b/science/cp2k-data/Makefile @@ -1,6 +1,6 @@ PORTNAME= cp2k-data DISTVERSIONPREFIX= v -DISTVERSION= 2025.1 +DISTVERSION= 2025.2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/cp2k-data/distinfo b/science/cp2k-data/distinfo index 004194f14912..264eccf26d02 100644 --- a/science/cp2k-data/distinfo +++ b/science/cp2k-data/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1735891303 -SHA256 (cp2k-cp2k-v2025.1_GH0.tar.gz) = 9b58062b9aed51de06cb1248f5dbeab2741962f03eb72c4025b9d0533af1805e -SIZE (cp2k-cp2k-v2025.1_GH0.tar.gz) = 87315415 +TIMESTAMP = 1753646804 +SHA256 (cp2k-cp2k-v2025.2_GH0.tar.gz) = 02432be1f6b56bab1d4b43e86e28ba495405d6f4015f2610f3376d56495ef74b +SIZE (cp2k-cp2k-v2025.2_GH0.tar.gz) = 88095973 diff --git a/science/cp2k-data/pkg-plist b/science/cp2k-data/pkg-plist index 3e641bb9296c..27d24338488a 100644 --- a/science/cp2k-data/pkg-plist +++ b/science/cp2k-data/pkg-plist @@ -1,6 +1,7 @@ %%DATADIR%%/ALL_BASIS_SETS %%DATADIR%%/ALL_POTENTIALS %%DATADIR%%/AcPP1_POTENTIALS +%%DATADIR%%/AcPP2_POTENTIALS %%DATADIR%%/Allegro/gra-water-deployed-neq060sp.pth %%DATADIR%%/Allegro/si-deployed-neq060dp.pth %%DATADIR%%/BASIS_ADMM @@ -12,6 +13,7 @@ %%DATADIR%%/BASIS_MINIX %%DATADIR%%/BASIS_MOLOPT %%DATADIR%%/BASIS_MOLOPT_AcPP1 +%%DATADIR%%/BASIS_MOLOPT_AcPP2 %%DATADIR%%/BASIS_MOLOPT_LnPP1 %%DATADIR%%/BASIS_MOLOPT_LnPP2 %%DATADIR%%/BASIS_MOLOPT_PSI @@ -139,7 +141,7 @@ %%DATADIR%%/DFTB/scc/zns.spl %%DATADIR%%/DFTB/scc/znzn.spl %%DATADIR%%/DFTB/uff_table -%%DATADIR%%/DeePMD/W.pb +%%DATADIR%%/DeePMD/water_dpa2.pth %%DATADIR%%/ECP_POTENTIALS %%DATADIR%%/ECP_POTENTIALS_pob-TZVP-rev2 %%DATADIR%%/EMSL_BASIS_SETS @@ -185,6 +187,17 @@ %%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%%/NNP/protH2OHelium-interaction-nnp/input.nn +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/readme.md +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/scaling.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.001.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.002.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.008.data +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/input.nn +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/readme.md +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/scaling.data +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/weights.001.data +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/weights.008.data %%DATADIR%%/NequIP/water-deployed-neq060dp.pth %%DATADIR%%/NequIP/water-deployed-neq060sp.pth %%DATADIR%%/POTENTIAL |