science/dftbplus: Fix tests

science/dftbplus/Makefile

 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

science/dftbplus/distinfo

-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