diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-11-14 19:06:11 -0800 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-11-14 19:06:49 -0800 |
| commit | c198e10673e58ebd1a13259348591593f872b72b (patch) | |
| tree | a1e439fb1cb6f57eddfd473471aec4ce4eefe2d7 | |
| parent | devel/test-drive: New port: Simple testing framework (diff) | |
science/xtb: Update 6.4.1 -> 6.5.1; Add tests
| -rw-r--r-- | science/xtb/Makefile | 7 | ||||
| -rw-r--r-- | science/xtb/distinfo | 6 | ||||
| -rw-r--r-- | science/xtb/files/patch-CMakeLists.txt | 10 | ||||
| -rw-r--r-- | 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 |