git: 0f99d93f3e31 - main - science/dftbplus: Fix tests
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Date: Sun, 16 Jan 2022 23:30:37 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=0f99d93f3e311f43e590fbfe4e08f27e4be42613
commit 0f99d93f3e311f43e590fbfe4e08f27e4be42613
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-01-16 23:29:50 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
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