diff --git a/science/dftbplus/Makefile b/science/dftbplus/Makefile index 1e159f42f0d4..20980d48d657 100644 --- a/science/dftbplus/Makefile +++ b/science/dftbplus/Makefile @@ -1,110 +1,110 @@ PORTNAME= dftbplus DISTVERSION= 24.1 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= DFTB+: Package for performing fast atomistic simulations WWW= https://dftbplus.org/ LICENSE= GPLv3 # main code is under LGPL3+, the bundled dftd3-lib is under GPLv1+, this makes the result GPLv3 (based on https://www.gnu.org/licenses/gpl-faq.html#AllCompatibility) BROKEN_aarch64= Lack of IEEE754 support in gcc causes "Cannot find an intrinsic module named 'ieee_arithmetic'", see bug\#255890 LIB_DEPENDS= libblas.so:math/blas \ liblapack.so:math/lapack \ libopenblas.so:math/openblas RUN_DEPENDS= ${PYNUMPY} TEST_DEPENDS= bash:shells/bash USES= cmake compiler:gcc-c++11-lib fortran pkgconfig python:build shebangfix USE_LDCONFIG= yes SHEBANG_FILES= tools/dptools/bin/* tools/misc/* utils/srcmanip/* utils/build/* external/fypp/bin/* utils/get_opt_externals \ external/fypp/bin/fypp utils/test/testlist_to_fypp SHEBANG_GLOB= *.py *.sh USE_GITHUB= yes GH_TUPLE= \ aradi:fytest:94e05ac:aradi_fytest/external/fytest/origin \ dftbplus:testparams:cd7536f:testparams/external/slakos/origin \ dftd4:dftd4:056491b:dftd4_dftd4/external/dftd4/origin TEST_TARGET= test BINARY_ALIAS= git=false CMAKE_ON= BLAS_DETECTION BUILD_SHARED_LIBS WITH_API ENABLE_DYNAMIC_LOADING CMAKE_ARGS= -DLAPACK_LIBRARY=lapack -DSCALAPACK_LIBRARY=scalapack BINARY_ALIAS= git=false python=${PYTHON_CMD} python3=${PYTHON_CMD} OPTIONS_DEFINE= ARPACK CHIMES DFTD3 MBD MPIX PLUMED POISSON PYTHON SOCKETS TBLITE TRANSPORT # see config.cmake for a complete list OPTIONS_DEFAULT= CHIMES DFTD3 MBD MPIX PLUMED POISSON TRANSPORT SOCKETS # PYTHON TBLITE OPTIONS_SUB= yes ARPACK_DESC= Build with ARPACK for large eigenvalue problems ARPACK_CMAKE_BOOL= WITH_ARPACK ARPACK_LIB_DEPENDS= libarpack.so:math/arpack-ng ARPACK_PREVENTS= MPIX # ARPACK is only used in a single-core application CHIMES_DESC= Build with ChIMES CHIMES_CMAKE_BOOL= WITH_CHIMES CHIMES_LIB_DEPENDS= libchimescalc.so:science/chimes-calculator DFTD3_DESC= Build with s-dft3 DFTD3_CMAKE_BOOL= WITH_SDFTD3 DFTD3_LIB_DEPENDS= libs-dftd3.so:science/simple-dftd3 \ libmctc-lib.so:science/mctc-lib \ libmstore.so:science/mstore \ libtoml-f.so:textproc/toml-f # binaries not linked with libtoml-f.so, see https://github.com/dftbplus/dftbplus/issues/1040 MBD_DESC= Build with many-body-dispersion support MBD_CMAKE_BOOL= WITH_MBD MBD_LIB_DEPENDS= libmbd.so:science/libmbd MPIX_DESC= MPI (Message Passing Interface) support # the MPI option name causes failure in MPI_USES=mpi:openmpi MPIX_CMAKE_BOOL= WITH_MPI MPIX_USES= mpi:mpich MPIX_LIB_DEPENDS= libmpich.so:net/mpich \ libmpifx.so:net/mpifx \ libscalapack.so:math/scalapack \ libscalapackfx.so:math/scalapackfx MPIX_LDFLAGS= ${LOCALBASE}/lib/libmpich.so ${LOCALBASE}/lib/libmpifort.so ${LOCALBASE}/lib/libmpi.so PLUMED_DESC= Do metadynamics via the PLUMED2 library PLUMED_CMAKE_BOOL= WITH_PLUMED PLUMED_LIB_DEPENDS= libplumed.so:science/plumed POISSON_DESC= Include Poisson-solver POISSON_CMAKE_BOOL= WITH_POISSON PYTHON_USES= python PYTHON_CMAKE_BOOL= WITH_PYTHON PYTHON_BROKEN= fails to install into stage directory: https://github.com/dftbplus/dftbplus/issues/931 SOCKETS_DESC= Build with sockets library SOCKETS_CMAKE_BOOL= WITH_SOCKETS SOCKETS_BINARY_ALIAS= gcc=${CC} TBLITE_DESC= Include xTB support via tblite TBLITE_CMAKE_BOOL= WITH_TBLITE TBLITE_BROKEN= fails to build, see https://github.com/dftbplus/dftbplus/issues/1041 TRANSPORT_DESC= Transport via libNEGF TRANSPORT_CMAKE_BOOL= WITH_TRANSPORT TRANSPORT_LIB_DEPENDS= libnegf.so:science/libnegf \ libmpi.so:net/mpich \ libmpifx.so:net/mpifx .include .if ${GCC_DEFAULT} >= 10 # workaround for Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/CHARACTER(*)). # in theory, this should set FCFLAGS, but the port does not conform FFLAGS+= -fallow-argument-mismatch .endif # 5 tests fail, see https://github.com/dftbplus/dftbplus/issues/1474 .include diff --git a/science/simple-dftd3/Makefile b/science/simple-dftd3/Makefile index 2ae4cd3820b1..a6d6db2e8708 100644 --- a/science/simple-dftd3/Makefile +++ b/science/simple-dftd3/Makefile @@ -1,31 +1,32 @@ PORTNAME= simple-dftd3 DISTVERSIONPREFIX= v DISTVERSION= 1.1.1 +PORTREVISION= 1 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org COMMENT= Reimplementation of the DFT-D3 program WWW= https://github.com/awvwgk/simple-dftd3 LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING BROKEN_aarch64= cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory BUILD_DEPENDS= mstore>0:science/mstore LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \ libopenblas.so:math/openblas \ libtoml-f.so:textproc/toml-f USES= cmake:testing fortran USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= dftd3 CMAKE_ON= BUILD_SHARED_LIBS post-patch: # see https://github.com/toml-f/toml-f/issues/51 @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt .include diff --git a/textproc/toml-f/Makefile b/textproc/toml-f/Makefile index 6749b9ceb674..7ed067c16888 100644 --- a/textproc/toml-f/Makefile +++ b/textproc/toml-f/Makefile @@ -1,25 +1,22 @@ PORTNAME= toml-f -DISTVERSION= 0.3.1 -PORTREVISION= 1 +DISTVERSION= 0.4.2 CATEGORIES= textproc MASTER_SITES= https://github.com/${PORTNAME}/${PORTNAME}/releases/download/v${DISTVERSION}/ MAINTAINER= yuri@FreeBSD.org COMMENT= TOML parser for data serialization and deserialization in Fortran -WWW= https://toml-f.github.io/toml-f/ +WWW= https://toml-f.github.io/toml-f/ \ + https://github.com/toml-f/toml-f LICENSE= MIT LICENSE_FILE= ${WRKSRC}/LICENSE-MIT BROKEN_aarch64= cannot find an intrinsic module named 'ieee_arithmetic' USES= cmake:testing fortran tar:xz USE_LDCONFIG= yes CMAKE_ON= BUILD_SHARED_LIBS CMAKE_TESTING_ON= FREEBSD_BUILD_TESTS -post-patch: # see https://github.com/toml-f/toml-f/issues/51 - @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt - .include diff --git a/textproc/toml-f/distinfo b/textproc/toml-f/distinfo index f4e5e77f9970..2ac860f0cf34 100644 --- a/textproc/toml-f/distinfo +++ b/textproc/toml-f/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1663314668 -SHA256 (toml-f-0.3.1.tar.xz) = 7f40f60c8d9ffbb1b99fb051a3e6682c7dd04d7479aa1cf770eff8174b02544f -SIZE (toml-f-0.3.1.tar.xz) = 382376 +TIMESTAMP = 1731994235 +SHA256 (toml-f-0.4.2.tar.xz) = 6b49013d3bcd1043494c140d7b2da6b0cedd87648e4fc5179fcfcf41226d3232 +SIZE (toml-f-0.4.2.tar.xz) = 406944 diff --git a/textproc/toml-f/pkg-plist b/textproc/toml-f/pkg-plist index 326f35406193..73ce5502e534 100644 --- a/textproc/toml-f/pkg-plist +++ b/textproc/toml-f/pkg-plist @@ -1,40 +1,43 @@ -include/toml-f/tomlf.mod -include/toml-f/tomlf_all.mod -include/toml-f/tomlf_build.mod -include/toml-f/tomlf_build_array.mod -include/toml-f/tomlf_build_keyval.mod -include/toml-f/tomlf_build_merge.mod -include/toml-f/tomlf_build_path.mod -include/toml-f/tomlf_build_table.mod -include/toml-f/tomlf_constants.mod -include/toml-f/tomlf_datetime.mod -include/toml-f/tomlf_de.mod -include/toml-f/tomlf_de_abc.mod -include/toml-f/tomlf_de_context.mod -include/toml-f/tomlf_de_lexer.mod -include/toml-f/tomlf_de_parser.mod -include/toml-f/tomlf_de_token.mod -include/toml-f/tomlf_diagnostic.mod -include/toml-f/tomlf_error.mod -include/toml-f/tomlf_ser.mod -include/toml-f/tomlf_structure.mod -include/toml-f/tomlf_structure_base.mod -include/toml-f/tomlf_structure_vector.mod -include/toml-f/tomlf_terminal.mod -include/toml-f/tomlf_type.mod -include/toml-f/tomlf_type_array.mod -include/toml-f/tomlf_type_keyval.mod -include/toml-f/tomlf_type_table.mod -include/toml-f/tomlf_type_value.mod -include/toml-f/tomlf_utils.mod -include/toml-f/tomlf_utils_io.mod -include/toml-f/tomlf_utils_sort.mod -include/toml-f/tomlf_version.mod +include/toml-f/modules/tomlf.mod +include/toml-f/modules/tomlf_all.mod +include/toml-f/modules/tomlf_build.mod +include/toml-f/modules/tomlf_build_array.mod +include/toml-f/modules/tomlf_build_keyval.mod +include/toml-f/modules/tomlf_build_merge.mod +include/toml-f/modules/tomlf_build_path.mod +include/toml-f/modules/tomlf_build_table.mod +include/toml-f/modules/tomlf_constants.mod +include/toml-f/modules/tomlf_datetime.mod +include/toml-f/modules/tomlf_de.mod +include/toml-f/modules/tomlf_de_abc.mod +include/toml-f/modules/tomlf_de_context.mod +include/toml-f/modules/tomlf_de_lexer.mod +include/toml-f/modules/tomlf_de_parser.mod +include/toml-f/modules/tomlf_de_token.mod +include/toml-f/modules/tomlf_diagnostic.mod +include/toml-f/modules/tomlf_error.mod +include/toml-f/modules/tomlf_ser.mod +include/toml-f/modules/tomlf_structure.mod +include/toml-f/modules/tomlf_structure_array_list.mod +include/toml-f/modules/tomlf_structure_list.mod +include/toml-f/modules/tomlf_structure_map.mod +include/toml-f/modules/tomlf_structure_node.mod +include/toml-f/modules/tomlf_structure_ordered_map.mod +include/toml-f/modules/tomlf_terminal.mod +include/toml-f/modules/tomlf_type.mod +include/toml-f/modules/tomlf_type_array.mod +include/toml-f/modules/tomlf_type_keyval.mod +include/toml-f/modules/tomlf_type_table.mod +include/toml-f/modules/tomlf_type_value.mod +include/toml-f/modules/tomlf_utils.mod +include/toml-f/modules/tomlf_utils_io.mod +include/toml-f/modules/tomlf_utils_sort.mod +include/toml-f/modules/tomlf_version.mod lib/cmake/toml-f/toml-f-config-version.cmake lib/cmake/toml-f/toml-f-config.cmake lib/cmake/toml-f/toml-f-targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/toml-f/toml-f-targets.cmake lib/libtoml-f.so lib/libtoml-f.so.0 -lib/libtoml-f.so.0.3.1 +lib/libtoml-f.so.0.4.2 libdata/pkgconfig/toml-f.pc