git: c198e10673e5 - main - science/xtb: Update 6.4.1 -> 6.5.1; Add tests

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Tue, 15 Nov 2022 03:06:55 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=c198e10673e58ebd1a13259348591593f872b72b

commit c198e10673e58ebd1a13259348591593f872b72b
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-11-15 03:06:11 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-11-15 03:06:49 +0000

    science/xtb: Update 6.4.1 -> 6.5.1; Add tests
---
 science/xtb/Makefile                   |  7 +++++--
 science/xtb/distinfo                   |  6 +++---
 science/xtb/files/patch-CMakeLists.txt | 10 ++++++++++
 science/xtb/pkg-plist                  | 14 +++++++++-----
 4 files changed, 27 insertions(+), 10 deletions(-)

diff --git a/science/xtb/Makefile b/science/xtb/Makefile
index 682a5b5a30c4..edcdc5cc735a 100644
--- a/science/xtb/Makefile
+++ b/science/xtb/Makefile
@@ -1,6 +1,6 @@
 PORTNAME=	xtb
-PORTVERSION=	6.4.1
 DISTVERSIONPREFIX=	v
+DISTVERSION=	6.5.1
 CATEGORIES=	science
 
 MAINTAINER=	jmd@FreeBSD.org
@@ -14,7 +14,10 @@ LICENSE_FILE=	${WRKSRC}/COPYING
 BROKEN=		requires OpenMP support that is missing on this architecture
 .endif
 
-USES=		fortran cmake blaslapack:openblas
+LIB_DEPENDS=	libmctc-lib.so:science/mctc-lib
+TEST_DEPENDS=	test-drive>0:devel/test-drive
+
+USES=		blaslapack:openblas cmake:testing fortran blaslapack:openblas
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	grimme-lab
diff --git a/science/xtb/distinfo b/science/xtb/distinfo
index 3ff2f53b9185..55ac402df9d2 100644
--- a/science/xtb/distinfo
+++ b/science/xtb/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1638035132
-SHA256 (grimme-lab-xtb-v6.4.1_GH0.tar.gz) = cd7b6ec9b7963012ce71220a70773641f0d9e06e0691750a25b83e823510d1d7
-SIZE (grimme-lab-xtb-v6.4.1_GH0.tar.gz) = 1400285
+TIMESTAMP = 1668479737
+SHA256 (grimme-lab-xtb-v6.5.1_GH0.tar.gz) = 8e5840469f9ef2c01ad5cb620481310ace62a7563c5d43375eb3d36463fc3add
+SIZE (grimme-lab-xtb-v6.5.1_GH0.tar.gz) = 1391043
diff --git a/science/xtb/files/patch-CMakeLists.txt b/science/xtb/files/patch-CMakeLists.txt
new file mode 100644
index 000000000000..b5146a1632f0
--- /dev/null
+++ b/science/xtb/files/patch-CMakeLists.txt
@@ -0,0 +1,10 @@
+--- CMakeLists.txt.orig	2022-07-11 07:32:00 UTC
++++ CMakeLists.txt
+@@ -225,4 +225,7 @@ install(
+   DESTINATION "${CMAKE_INSTALL_LIBDIR}/cmake/${PROJECT_NAME}"
+ )
+ 
++if (BUILD_TESTING)
+ add_subdirectory("test")
++endif()
++
diff --git a/science/xtb/pkg-plist b/science/xtb/pkg-plist
index c539721da3be..439bcc613fde 100644
--- a/science/xtb/pkg-plist
+++ b/science/xtb/pkg-plist
@@ -1,15 +1,19 @@
 bin/xtb
 include/xtb.h
-lib/cmake/xtb/xtbConfig.cmake
-lib/cmake/xtb/xtbConfigVersion.cmake
-lib/cmake/xtb/xtbTargets-%%CMAKE_BUILD_TYPE%%.cmake
-lib/cmake/xtb/xtbTargets.cmake
+lib/cmake/xtb/Findmctc-lib.cmake
+lib/cmake/xtb/Findtest-drive.cmake
+lib/cmake/xtb/xtb-config-version.cmake
+lib/cmake/xtb/xtb-config.cmake
+lib/cmake/xtb/xtb-targets-%%CMAKE_BUILD_TYPE%%.cmake
+lib/cmake/xtb/xtb-targets.cmake
+lib/cmake/xtb/xtb-utils.cmake
 lib/libxtb.a
 lib/libxtb.so
 lib/libxtb.so.6
-lib/libxtb.so.6.4.1
+lib/libxtb.so.6.5.1
 %%DATADIR%%/.param_gfnff.xtb
 %%DATADIR%%/param_gfn0-xtb.txt
+%%DATADIR%%/param_gfn1-si-xtb.txt
 %%DATADIR%%/param_gfn1-xtb.txt
 %%DATADIR%%/param_gfn2-xtb.txt
 %%DATADIR%%/param_ipea-xtb.txt