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

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This commit is contained in:
Yuri Victorovich 2022-11-14 19:06:11 -08:00
parent 45840dee36
commit c198e10673
4 changed files with 27 additions and 10 deletions
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7
science/xtb/Makefile
View File

@ -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

6
science/xtb/distinfo
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@ -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

10
science/xtb/files/patch-CMakeLists.txt Normal file
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@ -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()
+

14
science/xtb/pkg-plist
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@ -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