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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2023-11-19 07:40:57 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2023-11-19 09:36:25 +0000 |
| commit | 423db3f5b02b6e269946e7ee90be6bfcf542b329 (patch) | |
| tree | 8ac8bea1f6f112133a4ab34b110093923e8631ec | |
| parent | c696d5b0e3b3d29ce93d9daaa14bca100826a36c (diff) | |
| download | ports-423db3f5b02b6e269946e7ee90be6bfcf542b329.tar.gz ports-423db3f5b02b6e269946e7ee90be6bfcf542b329.zip | |
science/votca: update 2022.1 → 2023
Reported by: portscout
| -rw-r--r-- | science/votca/Makefile | 25 | ||||
| -rw-r--r-- | science/votca/distinfo | 8 |
2 files changed, 18 insertions, 15 deletions
diff --git a/science/votca/Makefile b/science/votca/Makefile index 4ad7b95b87f3..b98dbd0c6243 100644 --- a/science/votca/Makefile +++ b/science/votca/Makefile @@ -1,7 +1,6 @@ PORTNAME= votca DISTVERSIONPREFIX= v -DISTVERSION= 2022.1 -PORTREVISION= 1 +DISTVERSION= 2023 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -12,8 +11,11 @@ LICENSE= APACHE20 BROKEN_i386= undefined reference to `__atomic_load' -PY_DEPENDS= ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ +PY_DEPENDS= \ + ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}lxml>0:devel/py-lxml@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}xmltodict>0:devel/py-xmltodict@${PY_FLAVOR} \ rdkit>0:science/rdkit BUILD_DEPENDS= bash:shells/bash \ lmp:science/lammps \ @@ -38,17 +40,20 @@ USE_GITHUB= yes USE_LDCONFIG= yes SHEBANG_GLOB= *.sh *.pl *.py -SHEBANG_FILES= csg/scripts/csg_call.in csg/scripts/csg_inverse.in \ - tools/scripts/votca_compare.in tools/scripts/votca_help2doc.in \ - xtp/scripts/xtp_update_mapfile.in xtp/scripts/xtp_basisset.in xtp/share/benchmark/xtp_benchmark.in xtp/scripts/xtp_autogen_mapping.in \ - xtp/scripts/xtp_modify_jobfile.in \ - xtp/scripts/xtp_qmmm2qm.in +SHEBANG_FILES= csg/scripts/csg_call csg/scripts/csg_inverse \ + tools/scripts/votca_compare tools/scripts/votca_help2doc \ + xtp/scripts/xtp_update_mapfile xtp/scripts/xtp_basisset xtp/share/benchmark/xtp_benchmark xtp/scripts/xtp_autogen_mapping \ + xtp/scripts/xtp_modify_jobfile \ + xtp/scripts/xtp_qmmm2qm CXXFLAGS+= -DBOOST_TIMER_ENABLE_DEPRECATED -CMAKE_ON= BUILD_XTP +CMAKE_ON= BUILD_XTP \ + CMAKE_DISABLE_FIND_PACKAGE_SPHINX CMAKE_ARGS= -DLOCALBASE=${LOCALBASE} -DPython_EXECUTABLE=${PYTHON_CMD} +BINARY_ALIAS= python3=${PYTHON_CMD} + OPTIONS_DEFINE= APPS OPTIONS_DEFAULT= APPS OPTIONS_SUB= yes @@ -56,7 +61,7 @@ OPTIONS_SUB= yes APPS_DESC= Build applications APPS_CMAKE_BOOL= BUILD_CSGAPPS -do-test: # 2 tests fail, see https://github.com/votca/votca/issues/1073 +do-test: # several tests fail, see https://github.com/votca/votca/issues/1098 @cd ${BUILD_WRKSRC} && \ ${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TESTING:BOOL=ON ${CMAKE_SOURCE_PATH} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \ diff --git a/science/votca/distinfo b/science/votca/distinfo index b82056094208..290988537be4 100644 --- a/science/votca/distinfo +++ b/science/votca/distinfo @@ -1,5 +1,3 @@ -TIMESTAMP = 1686102306 -SHA256 (votca-votca-v2022.1_GH0.tar.gz) = 4710a7552f94789936324d76d2e0830b576de8d3f1c605748e2d20947d018100 -SIZE (votca-votca-v2022.1_GH0.tar.gz) = 61692029 -SHA256 (078c6814797749cd1b92a2b19f0302265ccf6463.patch) = 28d3c13695c1b7dcc9b5be5aac5d246493e082d86dc8b078cc36ca8d6c8aabcc -SIZE (078c6814797749cd1b92a2b19f0302265ccf6463.patch) = 2437 +TIMESTAMP = 1700276734 +SHA256 (votca-votca-v2023_GH0.tar.gz) = ac78d2eb5a6694b76878d2ab1ec86bb161765143a447cc23905cdcb2bb6743be +SIZE (votca-votca-v2023_GH0.tar.gz) = 38975119 |