diff --git a/science/dftd4/Makefile b/science/dftd4/Makefile index 7a1fea532da5..aa8e5fc6d68f 100644 --- a/science/dftd4/Makefile +++ b/science/dftd4/Makefile @@ -1,30 +1,31 @@ PORTNAME= dftd4 DISTVERSIONPREFIX= v -DISTVERSION= 3.7.0 -PORTREVISION= 1 +DISTVERSION= 3.7.0-31 +DISTVERSIONSUFFIX= -g476e6be 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://dftd4.readthedocs.io/en/latest/ \ + https://github.com/dftd4/dftd4 LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING BROKEN_aarch64= cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory BUILD_DEPENDS= mstore>0:science/mstore LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \ libmulticharge.so:science/multicharge \ libopenblas.so:math/openblas USES= cmake:testing fortran USE_GITHUB= yes USE_LDCONFIG= yes CMAKE_ON= BUILD_SHARED_LIBS post-patch: # see https://github.com/toml-f/toml-f/issues/51 @${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 3924901dc8cd..0274ee6407a9 100644 --- a/science/dftd4/distinfo +++ b/science/dftd4/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1725080870 -SHA256 (dftd4-dftd4-v3.7.0_GH0.tar.gz) = f00b244759eff2c4f54b80a40673440ce951b6ddfa5eee1f46124297e056f69c -SIZE (dftd4-dftd4-v3.7.0_GH0.tar.gz) = 388657 +TIMESTAMP = 1762271663 +SHA256 (dftd4-dftd4-v3.7.0-31-g476e6be_GH0.tar.gz) = 6f70d17299963d51b59ae79372a7a01caf896a6103ccf636cfdc87465eb47971 +SIZE (dftd4-dftd4-v3.7.0-31-g476e6be_GH0.tar.gz) = 466471 diff --git a/science/dftd4/pkg-plist b/science/dftd4/pkg-plist index 5560af8233bf..35758c3ce35d 100644 --- a/science/dftd4/pkg-plist +++ b/science/dftd4/pkg-plist @@ -1,38 +1,43 @@ 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_wfpair.mod include/dftd4/dftd4_data_zeff.mod include/dftd4/dftd4_disp.mod include/dftd4/dftd4_model.mod +include/dftd4/dftd4_model_d4.mod +include/dftd4/dftd4_model_d4s.mod +include/dftd4/dftd4_model_type.mod +include/dftd4/dftd4_model_utils.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.3.7.0 libdata/pkgconfig/dftd4.pc