diff --git a/science/votca/Makefile b/science/votca/Makefile index 24bdead9197f..37342b2702fd 100644 --- a/science/votca/Makefile +++ b/science/votca/Makefile @@ -1,66 +1,62 @@ PORTNAME= votca DISTVERSIONPREFIX= v -DISTVERSION= 2022 -PORTREVISION= 8 +DISTVERSION= 2022.1 CATEGORIES= science -PATCH_SITES= https://github.com/${GH_ACCOUNT}/${PORTNAME}/commit/ -PATCHFILES= 078c6814797749cd1b92a2b19f0302265ccf6463.patch:-p1 # fix testsuite build - MAINTAINER= yuri@FreeBSD.org COMMENT= CSG and XTP: libraries for atomistic simulations WWW= https://github.com/votca/votca LICENSE= APACHE20 BROKEN_i386= undefined reference to `__atomic_load' PY_DEPENDS= ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}lxml>0:devel/py-lxml@${PY_FLAVOR} \ rdkit>0:science/rdkit BUILD_DEPENDS= bash:shells/bash \ lmp:science/lammps \ ${PY_DEPENDS} LIB_DEPENDS= libboost_program_options.so:devel/boost-libs \ libecpint.so:science/libecpint \ libexpat.so:textproc/expat2 \ libfftw3.so:math/fftw3 \ libgromacs_d.so:science/gromacs \ libhdf5.so:science/hdf5 \ libint2.so:science/libint2 \ libsz.so:science/libaec \ libxc.so:science/libxc RUN_DEPENDS= bash:shells/bash \ ${PYNUMPY} \ ${PY_DEPENDS} TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} USES= cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run \ shebangfix 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 CMAKE_ON= BUILD_XTP CMAKE_ARGS= -DLOCALBASE=${LOCALBASE} -DPython_EXECUTABLE=${PYTHON_CMD} OPTIONS_DEFINE= APPS OPTIONS_DEFAULT= APPS OPTIONS_SUB= yes APPS_DESC= Build applications APPS_CMAKE_BOOL= BUILD_CSGAPPS -do-test: +do-test: # 2 tests fail, see https://github.com/votca/votca/issues/1073 @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} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test .include diff --git a/science/votca/distinfo b/science/votca/distinfo index 921c78d9340c..b82056094208 100644 --- a/science/votca/distinfo +++ b/science/votca/distinfo @@ -1,5 +1,5 @@ -TIMESTAMP = 1643092310 -SHA256 (votca-votca-v2022_GH0.tar.gz) = eac5e34bd6304780ddb82edcd805c4ea7ac3f13224e61a339f7836e06c3fabaa -SIZE (votca-votca-v2022_GH0.tar.gz) = 61688862 +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