diff --git a/science/elk/Makefile b/science/elk/Makefile index a822b17fed43..229dd95c3f5f 100644 --- a/science/elk/Makefile +++ b/science/elk/Makefile @@ -1,84 +1,84 @@ PORTNAME= elk -DISTVERSION= 10.2.4 +DISTVERSION= 10.3.12 CATEGORIES= science MASTER_SITES= SF/${PORTNAME} PKGNAMESUFFIX= -chemistry DIST_SUBDIR= ${PORTNAME}${PKGNAMESUFFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= All-electron full-potential linearised augmented-planewave code WWW= http://elk.sourceforge.net/ LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING LIB_DEPENDS= libblas.so:math/blas \ libblis.so:math/blis \ libfftw3.so:math/fftw3 \ libfftw3f.so:math/fftw3-float \ liblapack.so:math/lapack \ libopenblas.so:math/openblas \ libwannier.so:science/wannier90 \ libxc.so:science/libxc USES= fortran gmake tar:tgz BINARY_ALIAS= make=${GMAKE} LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgcc_s.so OPTIONS_DEFINE= DOCS EXAMPLES NATIVE OPENMP OPTIONS_RADIO= MPI OPTIONS_RADIO_MPI= MPICH OPENMPI OPTIONS_DEFAULT= OPENMP MPICH PARALLEL_DESC= Enable parallelizations: NATIVE_MAKE_ARGS= FFLAGS="${FFLAGS} -march=native -mtune=native" NATIVE_VARS= FFLAGS="-march=native -mtune=native" OPENMP_VARS= OPENMP_FLAGS=-fopenmp MPICH_USES= mpi:mpich MPICH_MAKE_ARGS= F90=${MPIF90} OPENMPI_USES= mpi:openmpi OPENMPI_MAKE_ARGS= F90=${MPIF90} PORTDOCS= * PORTEXAMPLES= * MAKE_JOBS_UNSAFE= yes PLIST_FILES= bin/${PORTNAME} .include .if ${GCC_DEFAULT} >= 10 # workaround for Type mismatch in argument 'cc' at (1); passed COMPLEX(8) to REAL(8) FCFLAGS+= -fallow-argument-mismatch .endif post-patch: @${SED} 's|%%GMAKE%%|${GMAKE}|; s|%%FC%%|${FC}|; \ s|%%FCFLAGS%%|${FCFLAGS}|; \ s|%%OPENMP_FLAGS%%|${OPENMP_FLAGS}|' \ < ${FILESDIR}/make.inc.in \ > ${WRKSRC}/make.inc do-install: ${INSTALL_PROGRAM} ${WRKSRC}/src/${PORTNAME} ${STAGEDIR}${PREFIX}/bin do-install-DOCS-on: @${MKDIR} ${STAGEDIR}${DOCSDIR} ${INSTALL_DATA} ${WRKSRC}/docs/*.pdf ${STAGEDIR}${DOCSDIR} do-install-EXAMPLES-on: @${MKDIR} ${STAGEDIR}${EXAMPLESDIR} cd ${WRKSRC}/examples && ${COPYTREE_SHARE} . ${STAGEDIR}${EXAMPLESDIR} do-test: # several tests fail, see https://sourceforge.net/p/elk/discussion/897822/thread/5d7862dd8b/ @cd ${WRKSRC}/tests && ./test.sh # 1 test (test_024) fails, reported to dewhurst@mpi-halle.mpg.de on 2026-06-26 (before was: see https://sourceforge.net/p/elk/discussion/897820/thread/f7b5859624/) .include diff --git a/science/elk/distinfo b/science/elk/distinfo index c05561b29e23..42fed1f772d8 100644 --- a/science/elk/distinfo +++ b/science/elk/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1737195631 -SHA256 (elk-chemistry/elk-10.2.4.tgz) = 015e1d2a04a6c8335af2e5f5adaae143c6c0287f34772e069834a691bb15ac9d -SIZE (elk-chemistry/elk-10.2.4.tgz) = 2905985 +TIMESTAMP = 1737700327 +SHA256 (elk-chemistry/elk-10.3.12.tgz) = c230e2c128733a0f92b8001001181fb9cd44913a8c86e05092c5f177db3664ca +SIZE (elk-chemistry/elk-10.3.12.tgz) = 2913319 diff --git a/science/elk/files/patch-src_Makefile b/science/elk/files/patch-src_Makefile index 092d964d293d..b945702d98cb 100644 --- a/science/elk/files/patch-src_Makefile +++ b/science/elk/files/patch-src_Makefile @@ -1,11 +1,11 @@ ---- src/Makefile.orig 2024-10-06 11:14:46 UTC +--- src/Makefile.orig 2025-01-24 06:32:12 UTC +++ src/Makefile @@ -97,7 +97,7 @@ SRC_main1 = \ - trimrfg.f90 rfirftoc.f90 zfirftoc.f90 zfirctof.f90 hflocal.f90 match.f90 \ - genvsig.f90 zpotcoul.f90 cpotcoul.f90 clebgor.f90 wigner3j.f90 zfmtftoc.f90 \ - writeefield.f90 potcoul.f90 eveqnfvz.f90 rfmtint.f90 zfmtint.f90 rbsht.f90 \ -- rfsht.f90 olprad.f90 checkrst.f90 writegsvars.f90 -+ rfsht.f90 olprad.f90 checkrst.f90 writegsvars.f90 mkl_stub.f90 + hflocal.f90 match.f90 genvsig.f90 zpotcoul.f90 cpotcoul.f90 clebgor.f90 \ + wigner3j.f90 zfmtftoc.f90 writeefield.f90 potcoul.f90 eveqnfvz.f90 \ + rfmtint.f90 zfmtint.f90 rbsht.f90 rfsht.f90 olprad.f90 checkrst.f90 \ +- writegsvars.f90 trimrfg.f90 ++ writegsvars.f90 trimrfg.f90 mkl_stub.f90 SRC_main = $(SRC_main0) $(SRC_main1)