diff --git a/science/siesta/Makefile b/science/siesta/Makefile index 0d175c36f769..e33576989cca 100644 --- a/science/siesta/Makefile +++ b/science/siesta/Makefile @@ -1,68 +1,68 @@ PORTNAME= siesta DISTVERSION= 5.4.2 CATEGORIES= science # chemistry -MASTER_SITES= https://gitlab.com/siesta-project/${PORTNAME}/-/releases/v${DISTVERSION}/downloads/ +MASTER_SITES= https://gitlab.com/siesta-project/${PORTNAME}/-/releases/${DISTVERSION}/downloads/ DISTFILES= ${PORTNAME}-${DISTVERSION}.tar.gz MAINTAINER= yuri@FreeBSD.org COMMENT= Program to perform efficient electronic structure calculations WWW= https://siesta-project.org/siesta/ LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING BROKEN_aarch64= lack of IEEE754 support in gcc causes "Cannot find an intrinsic module named 'ieee_arithmetic'", see bug#255890 LIB_DEPENDS= libopenblas.so:math/openblas \ libreadline.so:devel/readline USES= cmake:noninja,testing fortran:gfortran gmake localbase:ldflags pkgconfig PLIST_FILES= bin/${PORTNAME} USE_GITHUB= nodefault GH_TUPLE= ElectronicStructureLibrary:flook:v0.8.4:flook/External/Lua-Engine/flook \ dftd3:simple-dftd3:f147b265d8b53dcf1666d7b0aba579ec02233fe8:s_dftd3/External/DFTD3/s-dftd3 \ grimme-lab:mctc-lib:v0.3.1:mctc_lib/External/DFTD3/mctc-lib \ grimme-lab:mstore:v0.2.0:mstore/External/DFTD3/mstore \ toml-f:toml-f:v0.2.4:toml_f/External/DFTD3/toml-f \ fortran-lang:test-drive:v0.4.0:test_drive/External/DFTD3/test-drive USE_GITLAB= nodefault GL_TUPLE= siesta-project/libraries:libfdf:206a3d6c4628e584743bd5cd483d0e2e66e95b7c:libfdf/External/libfdf \ siesta-project/libraries:xmlf90:963fe5d11487233d43ac59dd0c1340a7b2cc3dc5:xmlf90/External/xmlf90 \ siesta-project/libraries:libpsml:b7049e4de25333fe8bd2dbf9a3495ef0f77ba168:libpsml/External/libpsml \ siesta-project/libraries:libgridxc:022d2a6371eed0db272ac6922289921f62f30c21:libgridxc/External/libgridxc BINARY_ALIAS= gfortran=gfortran${GCC_DEFAULT} gcc=gcc${GCC_DEFAULT} CMAKE_ARGS= -DSIESTA_WITH_MPI=OFF \ -DSIESTA_WITH_ELSI=OFF \ -DSIESTA_WITH_WANNIER90=OFF \ -DSIESTA_WITH_NETCDF=OFF \ -DSIESTA_WITH_LIBXC=OFF \ -DSIESTA_WITH_FFTW=OFF \ -Dlibfdf_FIND_METHOD=source \ -Dxmlf90_FIND_METHOD=source \ -Dlibpsml_FIND_METHOD=source \ -Dlibgridxc_FIND_METHOD=source \ -Ds-dftd3_FIND_METHOD=source \ -Dmctc-lib_FIND_METHOD=source \ -Dmstore_FIND_METHOD=source \ -Dtoml-f_FIND_METHOD=source \ -Dtest-drive_FIND_METHOD=source CMAKE_OFF= SIESTA_TESTS CMAKE_TESTING_ON= SIESTA_TESTS .include .if ${GCC_DEFAULT} >= 10 # workaround for Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). FFLAGS+= -fallow-argument-mismatch CMAKE_ARGS+= -DCMAKE_Fortran_FLAGS="${FFLAGS} -O2 -fPIC -ftree-vectorize" .endif do-install: ${INSTALL_PROGRAM} ${BUILD_WRKSRC}/Src/${PORTNAME} ${STAGEDIR}${PREFIX}/bin .include diff --git a/science/siesta/distinfo b/science/siesta/distinfo index f8bbc58c3ece..90a9bd7fac4d 100644 --- a/science/siesta/distinfo +++ b/science/siesta/distinfo @@ -1,23 +1,23 @@ -TIMESTAMP = 1783524801 -SHA256 (siesta-5.4.2.tar.gz) = 63d41b6b96e53b8ffa96750a80052ac61ee9550331604920f9040e2486a29b8d -SIZE (siesta-5.4.2.tar.gz) = 13087676 +TIMESTAMP = 1784488971 +SHA256 (siesta-5.4.2.tar.gz) = 9cd855bd2702b69785588931aa06e4c1b1036f11b5ef7b01ecc29a7218a38d3f +SIZE (siesta-5.4.2.tar.gz) = 17106972 SHA256 (ElectronicStructureLibrary-flook-v0.8.4_GH0.tar.gz) = 66304756194341157d24467d994312c950d2bd33d4d19d68e81424769a3dbc03 SIZE (ElectronicStructureLibrary-flook-v0.8.4_GH0.tar.gz) = 570879 SHA256 (dftd3-simple-dftd3-f147b265d8b53dcf1666d7b0aba579ec02233fe8_GH0.tar.gz) = 6a5f741a779eea17663d80e24cb5dda511960c9b24f5aed450dc57536839502e SIZE (dftd3-simple-dftd3-f147b265d8b53dcf1666d7b0aba579ec02233fe8_GH0.tar.gz) = 605878 SHA256 (grimme-lab-mctc-lib-v0.3.1_GH0.tar.gz) = 03dc8ccba37413da70e55a07cef8e8de53bce33f5bb52c1f8db5fec326abe083 SIZE (grimme-lab-mctc-lib-v0.3.1_GH0.tar.gz) = 130801 SHA256 (grimme-lab-mstore-v0.2.0_GH0.tar.gz) = 95edba88afbc8013f57f4c818a97c0500cc40b158bed11234c061b2b6d7e480d SIZE (grimme-lab-mstore-v0.2.0_GH0.tar.gz) = 240180 SHA256 (toml-f-toml-f-v0.2.4_GH0.tar.gz) = 21a0b558bec6750907da80cd7141444b56ef29eb3484b9689dc2a95949368baa SIZE (toml-f-toml-f-v0.2.4_GH0.tar.gz) = 94087 SHA256 (fortran-lang-test-drive-v0.4.0_GH0.tar.gz) = f9c037a3c1727e98801c2375e6f2efde9881ac1f54b04be3bc928e094f5787a5 SIZE (fortran-lang-test-drive-v0.4.0_GH0.tar.gz) = 26298 SHA256 (siesta-project/libraries-libfdf-206a3d6c4628e584743bd5cd483d0e2e66e95b7c_GL0.tar.gz) = d30b631a71644f8ea568f839400cab06148d6f558a102c83e301681c21f0facb SIZE (siesta-project/libraries-libfdf-206a3d6c4628e584743bd5cd483d0e2e66e95b7c_GL0.tar.gz) = 78703 SHA256 (siesta-project/libraries-xmlf90-963fe5d11487233d43ac59dd0c1340a7b2cc3dc5_GL0.tar.gz) = 1fc3f182c4bc941a9a41f42b2d3f9ca59abc8b132824e76cdd3c5ed4611bfe37 SIZE (siesta-project/libraries-xmlf90-963fe5d11487233d43ac59dd0c1340a7b2cc3dc5_GL0.tar.gz) = 528426 SHA256 (siesta-project/libraries-libpsml-b7049e4de25333fe8bd2dbf9a3495ef0f77ba168_GL0.tar.gz) = e169004471bd3e9eac9a698175edd17fc9bc5429427691ad6ee3a913bf705227 SIZE (siesta-project/libraries-libpsml-b7049e4de25333fe8bd2dbf9a3495ef0f77ba168_GL0.tar.gz) = 675634 SHA256 (siesta-project/libraries-libgridxc-022d2a6371eed0db272ac6922289921f62f30c21_GL0.tar.gz) = 7c1055b0b4ae0e9b0b1471e17b558aaedd44fd90f3eb6e8bbe5e3c524f5d1b32 SIZE (siesta-project/libraries-libgridxc-022d2a6371eed0db272ac6922289921f62f30c21_GL0.tar.gz) = 360521