diff --git a/science/dftd4/Makefile b/science/dftd4/Makefile index 1d152685b2a8..88941d32681e 100644 --- a/science/dftd4/Makefile +++ b/science/dftd4/Makefile @@ -1,30 +1,29 @@ PORTNAME= dftd4 DISTVERSIONPREFIX= v -DISTVERSION= 3.5.0 -PORTREVISION= 1 +DISTVERSION= 3.6.0 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org COMMENT= Atomic-charge dependent london dispersion correction computation -WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4 +WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/ LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING -BROKEN_aarch64= Cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory +BROKEN_aarch64= cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory BUILD_DEPENDS= mstore>0:science/mstore LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \ libmulticharge.so:science/multicharge \ libopenblas.so:math/openblas USES= cmake:testing fortran USE_GITHUB= yes USE_LDCONFIG= yes CMAKE_ON= BUILD_SHARED_LIBS post-patch: # see https://github.com/toml-f/toml-f/issues/51 @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt .include diff --git a/science/dftd4/distinfo b/science/dftd4/distinfo index c56a9c838103..a5adb46a9f8f 100644 --- a/science/dftd4/distinfo +++ b/science/dftd4/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1687112697 -SHA256 (dftd4-dftd4-v3.5.0_GH0.tar.gz) = 69830a32be61e683f3246239bdbf6a5ab8a0c902c76716f215262d16082a9e6d -SIZE (dftd4-dftd4-v3.5.0_GH0.tar.gz) = 355248 +TIMESTAMP = 1713733317 +SHA256 (dftd4-dftd4-v3.6.0_GH0.tar.gz) = 0e3e8d5f9e9e5414b9979967c074c953706053832e551d922c27599e7324bace +SIZE (dftd4-dftd4-v3.6.0_GH0.tar.gz) = 355901 diff --git a/science/dftd4/pkg-plist b/science/dftd4/pkg-plist index 640d404b1903..b143d75d793d 100644 --- a/science/dftd4/pkg-plist +++ b/science/dftd4/pkg-plist @@ -1,38 +1,38 @@ bin/dftd4 include/dftd4.h include/dftd4/dftd4.mod include/dftd4/dftd4_api.mod include/dftd4/dftd4_blas.mod include/dftd4/dftd4_charge.mod include/dftd4/dftd4_cutoff.mod include/dftd4/dftd4_damping.mod include/dftd4/dftd4_damping_atm.mod include/dftd4/dftd4_damping_rational.mod include/dftd4/dftd4_data.mod include/dftd4/dftd4_data_covrad.mod include/dftd4/dftd4_data_en.mod include/dftd4/dftd4_data_hardness.mod include/dftd4/dftd4_data_r4r2.mod include/dftd4/dftd4_data_zeff.mod include/dftd4/dftd4_disp.mod include/dftd4/dftd4_model.mod include/dftd4/dftd4_ncoord.mod include/dftd4/dftd4_numdiff.mod include/dftd4/dftd4_output.mod include/dftd4/dftd4_param.mod include/dftd4/dftd4_reference.mod include/dftd4/dftd4_utils.mod include/dftd4/dftd4_version.mod lib/cmake/dftd4/Findcustom-blas.cmake lib/cmake/dftd4/Findmctc-lib.cmake lib/cmake/dftd4/Findmstore.cmake lib/cmake/dftd4/Findmulticharge.cmake lib/cmake/dftd4/dftd4-config-version.cmake lib/cmake/dftd4/dftd4-config.cmake lib/cmake/dftd4/dftd4-targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/dftd4/dftd4-targets.cmake lib/cmake/dftd4/dftd4-utils.cmake lib/libdftd4.so lib/libdftd4.so.3 -lib/libdftd4.so.3.5.0 +lib/libdftd4.so.3.6.0 libdata/pkgconfig/dftd4.pc diff --git a/science/py-dftd4/Makefile b/science/py-dftd4/Makefile index 2b89cbf1b948..e8616d0da30d 100644 --- a/science/py-dftd4/Makefile +++ b/science/py-dftd4/Makefile @@ -1,29 +1,27 @@ PORTNAME= dftd4 -DISTVERSION= 3.5.0 +DISTVERSION= 3.6.0 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Python API of the DFT-D4 project -WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4 +WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/ LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING -BROKEN= build fails: meson-python: error ... after devel/meson-python update to 0.13.2, see https://github.com/dftd4/dftd4/issues/212 - BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} LIB_DEPENDS= libdftd4.so:science/dftd4 RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \ ${PYNUMPY} USES= pkgconfig python USE_PYTHON= pep517 autoplist post-install: @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/dftd4/_libdftd4${PYTHON_EXT_SUFFIX}.so .include diff --git a/science/py-dftd4/distinfo b/science/py-dftd4/distinfo index ac76ad4f6c70..3f3591e9b8ce 100644 --- a/science/py-dftd4/distinfo +++ b/science/py-dftd4/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1691044768 -SHA256 (dftd4-3.5.0.tar.gz) = 4f4cd5c611da558756095b34675cb038192baaae44fd7537e22676742f2f79dd -SIZE (dftd4-3.5.0.tar.gz) = 495370 +TIMESTAMP = 1713733814 +SHA256 (dftd4-3.6.0.tar.gz) = 95866afebdd0762bcd2e1c031e42f48ba99483d12ed45d34afd6bc3667445adb +SIZE (dftd4-3.6.0.tar.gz) = 495952