diff --git a/science/avogadrolibs/Makefile b/science/avogadrolibs/Makefile index ae6e0f72c715..ab11a29913cc 100644 --- a/science/avogadrolibs/Makefile +++ b/science/avogadrolibs/Makefile @@ -1,75 +1,75 @@ PORTNAME= avogadrolibs DISTVERSION= 1.94.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science PATCH_SITES= https://github.com/${GH_ACCOUNT}/${PORTNAME}/commit/ PATCHFILES= cf9d82575796d5fcabb153bdebde26843d81d83e.patch:-p1 \ ea813f683cdd9865994c0ba94a24325e04b9f8fb.patch:-p1 MAINTAINER= yuri@FreeBSD.org COMMENT= Avogadro2 libraries for chemical editor and visualization applications LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/LICENSE TEST_DEPENDS= googletest>0:devel/googletest USES= cmake:testing compiler:c++17-lang eigen:3,build,run # eigen needs to be 'run' because it is written into cmake files USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= OpenChemistry GH_TUPLE= OpenChemistry:molecules:b1e16c5:molecules/../molecules \ OpenChemistry:crystals:c3e2468:crystals/../crystals CMAKE_ON= BUILD_SHARED_LIBS CMAKE_TESTING_ON= ENABLE_TESTING OPTIONS_DEFINE= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB VTK OPTIONS_DEFAULT= LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB OPTIONS_SUB= yes HDF5_CMAKE_BOOL= USE_HDF5 HDF5_LIB_DEPENDS= libhdf5.so:science/hdf5 \ libsz.so:science/szip LIBARCHIVE_DESC= Enable optional Libarchive features LIBARCHIVE_CMAKE_BOOL= USE_LIBARCHIVE LIBARCHIVE_USES= libarchive LIBARCHIVE_IMPLIES= QT5 LIBMSYM_DESC= Enable optional features using libmsym LIBMSYM_CMAKE_BOOL= USE_LIBMSYM LIBMSYM_LIB_DEPENDS= libmsym.so:science/libmsym LIBMSYM_IMPLIES= QT5 # enables the 'symmetry' Qt plugin MMTF_DESC= Enable optional features using mmtf MMTF_CMAKE_BOOL= USE_MMTF MMTF_BUILD_DEPENDS= mmtf-cpp>0:science/mmtf-cpp OPENGL_CMAKE_BOOL= USE_OPENGL OPENGL_USES= gl OPENGL_USE= GL=gl,glew,glu QT5_CMAKE_BOOL= USE_QT QT5_USES= qt:5 QT5_USE= QT=core,concurrent,gui,network,svg,widgets,buildtools_build,qmake_build QT5_IMPLIES= OPENGL SPGLIB_DESC= Enable optional features using spglib SPGLIB_CMAKE_BOOL= USE_SPGLIB SPGLIB_CMAKE_ON= -DSPGLIB_INCLUDE_DIR=${LOCALBASE}/include/spglib SPGLIB_LIB_DEPENDS= libsymspg.so:science/spglib SPGLIB_IMPLIES= QT5 # USE_SPGLIB only installs header file without USE_QT, and also installs SpaceGroup.a with USE_QT, see https://github.com/OpenChemistry/avogadrolibs/issues/610 VTK_DESC= Enable libraries that use VTK VTK_CMAKE_BOOL= USE_VTK VTK_LIB_DEPENDS= libvtksys-8.2.so:math/vtk8 VTK_IMPLIES= QT5 VTK_BROKEN= Needs https://github.com/psavery/genXrdPattern, etc post-install: @${RM} -r ${STAGEDIR}${PREFIX}/share/doc .include diff --git a/science/octopus/Makefile b/science/octopus/Makefile index 0794fc60f1b3..08ab6559cba2 100644 --- a/science/octopus/Makefile +++ b/science/octopus/Makefile @@ -1,53 +1,54 @@ PORTNAME= octopus DISTVERSION= 10.5 +PORTREVISION= 1 CATEGORIES= science MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Scientific program aimed at the ab initio virtual experimentation LICENSE= GPLv2 BUILD_DEPENDS= bash:shells/bash LIB_DEPENDS= libarpack.so:math/arpack-ng \ libblas.so:math/blas \ libfftw3.so:math/fftw3 \ libfontconfig.so:x11-fonts/fontconfig \ libfreetype.so:print/freetype2 \ libgd.so:graphics/gd \ libgsl.so:math/gsl \ liblapack.so:math/lapack \ libnlopt.so:math/nlopt \ libpng.so:graphics/png \ libsymspg.so:science/spglib \ libtiff.so:graphics/tiff \ libvdwxcfort.so:science/libvdwxc \ libwebp.so:graphics/webp \ libxc.so:science/libxc \ libyaml.so:textproc/libyaml USES= compiler:c++11-lang fortran gmake jpeg localbase:ldflags perl5 python shebangfix SHEBANG_FILES= src/fdep/fortran_dependencies.pl testsuite/performance/create_combinations.py GNU_CONFIGURE= yes CONFIGURE_SHELL= ${PREFIX}/bin/bash USE_CXXSTD= c++11 LDFLAGS+= -lsymspg FCFLAGS+= -I${LOCALBASE}/include -ffree-line-length-none OPTIONS_DEFINE= OPENMP OPTIONS_DEFAULT= OPENMP OPENMP_CONFIGURE_ENABLE= openmp .include # workaround for: # Error: BOZ literal constant at (1) is neither a data-stmt-constant nor an actual argument to INT, REAL, DBLE, or CMPLX intrinsic function [see '-fno-allow-invalid-boz'] .if ${GCC_DEFAULT} >= 10 FCFLAGS+= -fallow-argument-mismatch -fallow-invalid-boz .endif post-stage: # https://gitlab.com/octopus-code/octopus/issues/108 @${RM} ${STAGEDIR}${PREFIX}/include/yaml.h .include diff --git a/science/py-spglib/Makefile b/science/py-spglib/Makefile index 7b2520575af3..014d3ef15b0a 100644 --- a/science/py-spglib/Makefile +++ b/science/py-spglib/Makefile @@ -1,21 +1,24 @@ PORTNAME= spglib -DISTVERSION= 1.16.1 +DISTVERSIONPREFIX= v +DISTVERSION= 1.16.2 CATEGORIES= science python -MASTER_SITES= CHEESESHOP PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Library for finding and handling crystal symmetries (python binding) LICENSE= BSD3CLAUSE BUILD_DEPENDS= ${PYNUMPY} RUN_DEPENDS= ${PYNUMPY} USES= python:3.6+ USE_PYTHON= distutils autoplist +USE_GITHUB= yes + +WRKSRC_SUBDIR= python post-install: @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/spglib/_spglib*.so .include diff --git a/science/py-spglib/distinfo b/science/py-spglib/distinfo index 7833f46dd2fe..35ad197a5111 100644 --- a/science/py-spglib/distinfo +++ b/science/py-spglib/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1612153493 -SHA256 (spglib-1.16.1.tar.gz) = 9fd2fefbd83993b135877a69c498d8ddcf20a9980562b65b800cfb4cdadad003 -SIZE (spglib-1.16.1.tar.gz) = 723682 +TIMESTAMP = 1629072842 +SHA256 (spglib-spglib-v1.16.2_GH0.tar.gz) = 5723789bee7371ebba91d78c729d2a608f198fad5e1c95eebe18fda9f2914ec8 +SIZE (spglib-spglib-v1.16.2_GH0.tar.gz) = 2004359 diff --git a/science/spglib/Makefile b/science/spglib/Makefile index 60033460ae73..59179d8c0b18 100644 --- a/science/spglib/Makefile +++ b/science/spglib/Makefile @@ -1,20 +1,16 @@ PORTNAME= spglib DISTVERSIONPREFIX= v -DISTVERSION= 1.16.1 +DISTVERSION= 1.16.2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= C library for finding and handling crystal symmetries LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/COPYING -USES= autoreconf libtool # cmake is also available now, but the header path change breaks dependencies +USES= cmake USE_GITHUB= yes -GNU_CONFIGURE= yes -CONFIGURE_ARGS= --disable-static USE_LDCONFIG= yes -INSTALL_TARGET= install-strip - .include diff --git a/science/spglib/distinfo b/science/spglib/distinfo index dbbb162b7545..27bbb659a31f 100644 --- a/science/spglib/distinfo +++ b/science/spglib/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1613278193 -SHA256 (spglib-spglib-v1.16.1_GH0.tar.gz) = e90682239e4ef63b492fa4e44f7dbcde2e2fe2e688579d96b01f2730dfdf5b2e -SIZE (spglib-spglib-v1.16.1_GH0.tar.gz) = 2001539 +TIMESTAMP = 1629072525 +SHA256 (spglib-spglib-v1.16.2_GH0.tar.gz) = 5723789bee7371ebba91d78c729d2a608f198fad5e1c95eebe18fda9f2914ec8 +SIZE (spglib-spglib-v1.16.2_GH0.tar.gz) = 2004359 diff --git a/science/spglib/pkg-plist b/science/spglib/pkg-plist index 3167c7bf1971..cfd176eb60e8 100644 --- a/science/spglib/pkg-plist +++ b/science/spglib/pkg-plist @@ -1,25 +1,6 @@ -include/spglib/arithmetic.h -include/spglib/cell.h -include/spglib/debug.h -include/spglib/delaunay.h -include/spglib/determination.h -include/spglib/hall_symbol.h -include/spglib/kgrid.h -include/spglib/kpoint.h -include/spglib/mathfunc.h -include/spglib/niggli.h -include/spglib/overlap.h -include/spglib/pointgroup.h -include/spglib/primitive.h -include/spglib/refinement.h -include/spglib/site_symmetry.h -include/spglib/sitesym_database.h -include/spglib/spacegroup.h -include/spglib/spg_database.h -include/spglib/spglib.h -include/spglib/spin.h -include/spglib/symmetry.h -include/spglib/version.h +include/spglib.h +include/spglib_f08.f90 +lib/libsymspg.a lib/libsymspg.so -lib/libsymspg.so.0 -lib/libsymspg.so.0.0.0 +lib/libsymspg.so.1 +lib/libsymspg.so.1.16.2