Date: Wed, 12 Jul 2023 03:21:09 GMT
From: Yuri Victorovich <yuri@FreeBSD.org>
To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org
Subject: git: 1e4eb1f53c83 - main - =?utf-8?Q?science/{,py-}dftbplus:=20Update=2022.2=20=E2=86=92=2023.1?=
Message-ID: <202307120321.36C3L9OH029623@gitrepo.freebsd.org>
next in thread | raw e-mail | index | archive | help
The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=1e4eb1f53c83cbe07627c99e6e1f69a8eef1b501 commit 1e4eb1f53c83cbe07627c99e6e1f69a8eef1b501 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2023-07-12 02:57:06 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2023-07-12 03:21:05 +0000 science/{,py-}dftbplus: Update 22.2 → 23.1 Reported by: portscout --- science/dftbplus/Makefile | 7 +++---- science/dftbplus/distinfo | 12 +++++------- science/dftbplus/pkg-plist | 5 +++++ science/py-dftbplus/Makefile | 2 +- science/py-dftbplus/distinfo | 6 +++--- 5 files changed, 17 insertions(+), 15 deletions(-) diff --git a/science/dftbplus/Makefile b/science/dftbplus/Makefile index d2b29c52e03f..0654ff7eb91f 100644 --- a/science/dftbplus/Makefile +++ b/science/dftbplus/Makefile @@ -1,5 +1,5 @@ PORTNAME= dftbplus -DISTVERSION= 22.2 +DISTVERSION= 23.1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -29,8 +29,7 @@ USE_GITHUB= yes GH_TUPLE= \ aradi:fytest:94e05ac:aradi_fytest/external/fytest/origin \ dftbplus:testparams:cd7536f:testparams/external/slakos/origin \ - dftd4:dftd4:1189af7:dftd4_dftd4/external/dftd4/origin \ - grimme-lab:gbsa-parameters:6836c4d:grimme_lab_gbsa/external/gbsa/origin + dftd4:dftd4:056491b:dftd4_dftd4/external/dftd4/origin TEST_TARGET= test @@ -67,7 +66,7 @@ MBD_LIB_DEPENDS= libmbd.so:science/libmbd MPIX_DESC= MPI (Message Passing Interface) support # the MPI option name causes failure in MPI_USES=mpi:openmpi MPIX_CMAKE_BOOL= WITH_MPI -MPIX_USES= mpi:openmpi +MPIX_USES= mpi:mpich MPIX_LIB_DEPENDS= libmpich.so:net/mpich \ libmpifx.so:net/mpifx \ libscalapack.so:math/scalapack \ diff --git a/science/dftbplus/distinfo b/science/dftbplus/distinfo index 967a8ad38d9f..29a6cb8b1732 100644 --- a/science/dftbplus/distinfo +++ b/science/dftbplus/distinfo @@ -1,11 +1,9 @@ -TIMESTAMP = 1685904291 -SHA256 (dftbplus-dftbplus-22.2_GH0.tar.gz) = ca69a5e21bf9071179c5a2c57d89cdcbb0543e771661ac5e8be584fafa4c61df -SIZE (dftbplus-dftbplus-22.2_GH0.tar.gz) = 5388024 +TIMESTAMP = 1689128954 +SHA256 (dftbplus-dftbplus-23.1_GH0.tar.gz) = e3dfc60f533438fcaac394ad41fff5a5e46a3ae94bfa1a5fd05f71240cf70345 +SIZE (dftbplus-dftbplus-23.1_GH0.tar.gz) = 5882282 SHA256 (aradi-fytest-94e05ac_GH0.tar.gz) = f29e91bb0a002ded95108091d4b2d20d99a6c4e465e068b1ec24252e1b4e4141 SIZE (aradi-fytest-94e05ac_GH0.tar.gz) = 16503 SHA256 (dftbplus-testparams-cd7536f_GH0.tar.gz) = 73bfe7b631afa5fbedeb534228afe0f210cb44fdf48d916b66c7ba40d6327ca3 SIZE (dftbplus-testparams-cd7536f_GH0.tar.gz) = 24900261 -SHA256 (dftd4-dftd4-1189af7_GH0.tar.gz) = 091e42c2eac683f0d05ae27afc4ec3e178e281abb035201ac46501e4968bd974 -SIZE (dftd4-dftd4-1189af7_GH0.tar.gz) = 221077 -SHA256 (grimme-lab-gbsa-parameters-6836c4d_GH0.tar.gz) = 5b898662131b6a5b976fd45138a6cc2eb87a83c90188bb77823d4014f30f8f57 -SIZE (grimme-lab-gbsa-parameters-6836c4d_GH0.tar.gz) = 57824 +SHA256 (dftd4-dftd4-056491b_GH0.tar.gz) = 49f2c03a6bf2ad524cf452ba5d210aef86307dd3750a5aa5ee9d2dab8c5f05d8 +SIZE (dftd4-dftd4-056491b_GH0.tar.gz) = 355267 diff --git a/science/dftbplus/pkg-plist b/science/dftbplus/pkg-plist index 7a79fa133d70..c3644bc5c9b6 100644 --- a/science/dftbplus/pkg-plist +++ b/science/dftbplus/pkg-plist @@ -24,6 +24,7 @@ include/dftbplus/modfiles/dftbp_common_atomicrad.mod %%MPIX%%include/dftbplus/modfiles/dftbp_common_blacsenv.mod include/dftbplus/modfiles/dftbp_common_coherence.mod include/dftbplus/modfiles/dftbp_common_constants.mod +include/dftbplus/modfiles/dftbp_common_envcheck.mod include/dftbplus/modfiles/dftbp_common_environment.mod include/dftbplus/modfiles/dftbp_common_file.mod include/dftbplus/modfiles/dftbp_common_filesystem.mod @@ -113,6 +114,7 @@ include/dftbplus/modfiles/dftbp_dftbplus_elstattypes.mod include/dftbplus/modfiles/dftbp_dftbplus_forcetypes.mod include/dftbplus/modfiles/dftbp_dftbplus_hsdhelpers.mod include/dftbplus/modfiles/dftbp_dftbplus_initprogram.mod +include/dftbplus/modfiles/dftbp_dftbplus_input_fileaccess.mod include/dftbplus/modfiles/dftbp_dftbplus_input_geoopt.mod include/dftbplus/modfiles/dftbp_dftbplus_inputconversion.mod include/dftbplus/modfiles/dftbp_dftbplus_inputdata.mod @@ -150,6 +152,7 @@ include/dftbplus/modfiles/dftbp_extlibs_sdftd3.mod include/dftbplus/modfiles/dftbp_extlibs_tblite.mod include/dftbplus/modfiles/dftbp_extlibs_xmlf90.mod include/dftbplus/modfiles/dftbp_geoopt_conjgrad.mod +include/dftbplus/modfiles/dftbp_geoopt_deprecated_steepdesc.mod include/dftbplus/modfiles/dftbp_geoopt_filter.mod include/dftbplus/modfiles/dftbp_geoopt_fire.mod include/dftbplus/modfiles/dftbp_geoopt_gdiis.mod @@ -263,6 +266,8 @@ include/dftbplus/modfiles/dftbp_type_dynneighlist.mod include/dftbplus/modfiles/dftbp_type_integral.mod include/dftbplus/modfiles/dftbp_type_latpointiter.mod include/dftbplus/modfiles/dftbp_type_linkedlist.mod +include/dftbplus/modfiles/dftbp_type_linkedlistc0.mod +include/dftbplus/modfiles/dftbp_type_linkedlistc1.mod include/dftbplus/modfiles/dftbp_type_linkedlisti0.mod include/dftbplus/modfiles/dftbp_type_linkedlisti1.mod include/dftbplus/modfiles/dftbp_type_linkedlistlc0.mod diff --git a/science/py-dftbplus/Makefile b/science/py-dftbplus/Makefile index d6c8ea083b37..e4b1b46b67ce 100644 --- a/science/py-dftbplus/Makefile +++ b/science/py-dftbplus/Makefile @@ -1,5 +1,5 @@ PORTNAME= dftbplus -DISTVERSION= 22.2 +DISTVERSION= 23.1 CATEGORIES= science PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dftbplus/distinfo b/science/py-dftbplus/distinfo index 1058ec0a8a67..b4c273cd3b50 100644 --- a/science/py-dftbplus/distinfo +++ b/science/py-dftbplus/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1685903491 -SHA256 (dftbplus-dftbplus-22.2_GH0.tar.gz) = ca69a5e21bf9071179c5a2c57d89cdcbb0543e771661ac5e8be584fafa4c61df -SIZE (dftbplus-dftbplus-22.2_GH0.tar.gz) = 5388024 +TIMESTAMP = 1689131171 +SHA256 (dftbplus-dftbplus-23.1_GH0.tar.gz) = e3dfc60f533438fcaac394ad41fff5a5e46a3ae94bfa1a5fd05f71240cf70345 +SIZE (dftbplus-dftbplus-23.1_GH0.tar.gz) = 5882282
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?202307120321.36C3L9OH029623>