diff --git a/science/votca/Makefile b/science/votca/Makefile index 07f97264f4bb..fc185755354a 100644 --- a/science/votca/Makefile +++ b/science/votca/Makefile @@ -1,78 +1,77 @@ PORTNAME= votca DISTVERSIONPREFIX= v -DISTVERSION= 2025 -PORTREVISION= 4 +DISTVERSION= 2025.1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= CSG and XTP: libraries for atomistic simulations WWW= https://www.votca.org/ \ https://github.com/votca/votca LICENSE= APACHE20 BROKEN_i386= undefined reference to `__atomic_load' # ' 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 \ ${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 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_DISABLE_FIND_PACKAGE_SPHINX CMAKE_OFF= INJECT_MARCH_NATIVE CMAKE_ARGS= -DLOCALBASE=${LOCALBASE} -DPython_EXECUTABLE=${PYTHON_CMD} BINARY_ALIAS= python3=${PYTHON_CMD} OPTIONS_DEFINE= APPS OPTIONS_DEFAULT= APPS OPTIONS_SUB= yes APPS_DESC= Build applications APPS_CMAKE_BOOL= INSTALL_CSGAPPS post-install: # workaround for https://github.com/votca/votca/issues/1173 @${RM} -r ${STAGEDIR}${PREFIX}/lib/python. 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} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test -# tests as of 2025: 100% tests passed, 0 tests failed out of 250 +# tests as of 2025.1: 100% tests passed, 0 tests failed out of 249 .include diff --git a/science/votca/distinfo b/science/votca/distinfo index 500ff40eff82..2c2f89fe0252 100644 --- a/science/votca/distinfo +++ b/science/votca/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1743227786 -SHA256 (votca-votca-v2025_GH0.tar.gz) = ee2ac59c858ee41ef3ecf636b263464cac5895c0ee9c8f97b1aafca4b8b76350 -SIZE (votca-votca-v2025_GH0.tar.gz) = 41334705 +TIMESTAMP = 1760182463 +SHA256 (votca-votca-v2025.1_GH0.tar.gz) = 85b487d2b2a31f26869be422c98f816b95c88a4ab112ea4650cccd4c2706bdbf +SIZE (votca-votca-v2025.1_GH0.tar.gz) = 41332679