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Sun, 16 Jan 2022 23:30:37 GMT (envelope-from git) Date: Sun, 16 Jan 2022 23:30:37 GMT Message-Id: <202201162330.20GNUbVI063551@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: 0f99d93f3e31 - main - science/dftbplus: Fix tests List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@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: 0f99d93f3e311f43e590fbfe4e08f27e4be42613 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1642375837; 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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=0f99d93f3e311f43e590fbfe4e08f27e4be42613 commit 0f99d93f3e311f43e590fbfe4e08f27e4be42613 Author: Yuri Victorovich AuthorDate: 2022-01-16 23:29:50 +0000 Commit: Yuri Victorovich CommitDate: 2022-01-16 23:30:33 +0000 science/dftbplus: Fix tests --- science/dftbplus/Makefile | 10 ++++++---- science/dftbplus/distinfo | 10 +++++----- 2 files changed, 11 insertions(+), 9 deletions(-) diff --git a/science/dftbplus/Makefile b/science/dftbplus/Makefile index a729b5abdd43..fd333dfcce4c 100644 --- a/science/dftbplus/Makefile +++ b/science/dftbplus/Makefile @@ -1,5 +1,6 @@ PORTNAME= dftbplus DISTVERSION= 21.2 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -15,6 +16,7 @@ LIB_DEPENDS= libblas.so:math/blas \ liblapack.so:math/lapack \ libopenblas.so:math/openblas RUN_DEPENDS= ${PYNUMPY} +TEST_DEPENDS= bash:shells/bash USES= cmake compiler:gcc-c++11-lib fortran python:build shebangfix USE_LDCONFIG= yes @@ -22,7 +24,7 @@ USE_LDCONFIG= yes SHEBANG_FILES= tools/dptools/bin/* tools/misc/* utils/srcmanip/* utils/build/* external/fypp/bin/* utils/get_opt_externals \ external/fypp/bin/fypp utils/test/testlist_to_fypp \ test/app/phonons/bin/tagdiff test/app/dftb+/bin/tagdiff test/app/dftb+/bin/tagdiff -SHEBANG_GLOB= *.py +SHEBANG_GLOB= *.py *.sh USE_GITHUB= yes GH_TUPLE= \ @@ -31,9 +33,9 @@ GH_TUPLE= \ awvwgk:tblite:dfc761d:awvwgk_tblite/external/tblite/origin \ dftbplus:mpifx:8200a5e:mpifx/external/mpifx/origin \ dftbplus:scalapackfx:0d5750d:scalapackfx/external/scalapackfx/origin \ - dftbplus:dftd3-lib:00504a9:dftd3/external/dftd3/origin \ - dftbplus:testparams:1601609:testparams/external/slakos/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 \ grimme-lab:mctc-lib:a2f70b0:grimme_lab_mctc_lib/external/mctc-lib/origin \ grimme-lab:mstore:974fb59:grimme_lab_mstore/external/mstore/origin \ grimme-lab:multicharge:dde0d67:grimme_lab_multicharge/external/multicharge/origin \ @@ -42,7 +44,7 @@ GH_TUPLE= \ rk-lindsey:chimes_calculator:98e3653:rk_lindsey_chimes_calculator/external/chimes/origin \ toml-f:toml-f:f066ec6:toml_f_toml_f/external/toml-f/origin -TEST_TARGET= test # some tests are known to fail: https://github.com/dftbplus/dftbplus/issues/932 +TEST_TARGET= test CMAKE_ON= BLAS_DETECTION BUILD_SHARED_LIBS WITH_API ENABLE_DYNAMIC_LOADING CMAKE_ARGS= -DLAPACK_LIBRARY=lapack -DSCALAPACK_LIBRARY=scalapack diff --git a/science/dftbplus/distinfo b/science/dftbplus/distinfo index e316c095f0bc..62c596894657 100644 --- a/science/dftbplus/distinfo +++ b/science/dftbplus/distinfo @@ -1,4 +1,4 @@ -TIMESTAMP = 1641708899 +TIMESTAMP = 1642372627 SHA256 (dftbplus-dftbplus-21.2_GH0.tar.gz) = e73aa698ff951b59f7fe2ea027b292bae16abf545c9fdbb11b5b5127f04a3c10 SIZE (dftbplus-dftbplus-21.2_GH0.tar.gz) = 6363419 SHA256 (aradi-fytest-94e05ac_GH0.tar.gz) = f29e91bb0a002ded95108091d4b2d20d99a6c4e465e068b1ec24252e1b4e4141 @@ -11,12 +11,12 @@ SHA256 (dftbplus-mpifx-8200a5e_GH0.tar.gz) = 652964602846c46a3905cd7c6ed30336b9e SIZE (dftbplus-mpifx-8200a5e_GH0.tar.gz) = 58286 SHA256 (dftbplus-scalapackfx-0d5750d_GH0.tar.gz) = f1f0ca82cd524d50d061d344b6dd4bb1c49b0161687445122adfffdbec6781e6 SIZE (dftbplus-scalapackfx-0d5750d_GH0.tar.gz) = 79407 -SHA256 (dftbplus-dftd3-lib-00504a9_GH0.tar.gz) = b6d891320139d7b41029ddaa389eb92878a2f55be065fdc438d199e7e0414cbb -SIZE (dftbplus-dftd3-lib-00504a9_GH0.tar.gz) = 575172 -SHA256 (dftbplus-testparams-1601609_GH0.tar.gz) = 3bbf8941d9339a5ed93e98c967ce965dfc6f2108c6c4ca536c71b7002ba2a1f2 -SIZE (dftbplus-testparams-1601609_GH0.tar.gz) = 5255839 +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 (grimme-lab-mctc-lib-a2f70b0_GH0.tar.gz) = a405d151a75dc18466de01472624b7b8fdd3feab0048a57afddf8d8c647a3ba5 SIZE (grimme-lab-mctc-lib-a2f70b0_GH0.tar.gz) = 83355 SHA256 (grimme-lab-mstore-974fb59_GH0.tar.gz) = 953fa576561fbb13316b27e605e1f5c5b293ba2b8bd58d92515b37866d09fba7