diff --git a/science/elk/Makefile b/science/elk/Makefile index cbc68cd1cdad..5ba45af321d0 100644 --- a/science/elk/Makefile +++ b/science/elk/Makefile @@ -1,82 +1,84 @@ PORTNAME= elk -DISTVERSION= 9.5.14 +DISTVERSION= 9.6.8 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 +# tests crash randomly, see https://sourceforge.net/p/elk/discussion/897820/thread/f7b5859624/ + .include diff --git a/science/elk/distinfo b/science/elk/distinfo index 422a6fb69156..5de313a0e555 100644 --- a/science/elk/distinfo +++ b/science/elk/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1713071709 -SHA256 (elk-chemistry/elk-9.5.14.tgz) = 4dfeafe251add5a86d6128058a917a2c97e475584fd0630dacdfa22f1ea9da42 -SIZE (elk-chemistry/elk-9.5.14.tgz) = 3305208 +TIMESTAMP = 1718259024 +SHA256 (elk-chemistry/elk-9.6.8.tgz) = d5b60406744a13be42a258a6efd9545ce38a7006d8e76e40e3770368e05c1dae +SIZE (elk-chemistry/elk-9.6.8.tgz) = 2985219 diff --git a/science/elk/files/patch-src_Makefile b/science/elk/files/patch-src_Makefile index 79c21efb04ea..7dd7cc11a06b 100644 --- a/science/elk/files/patch-src_Makefile +++ b/science/elk/files/patch-src_Makefile @@ -1,11 +1,11 @@ ---- src/Makefile.orig 2024-04-13 07:06:59 UTC +--- src/Makefile.orig 2024-05-30 20:02:23 UTC +++ src/Makefile -@@ -95,7 +95,7 @@ SRC_main1 = \ - cpotclmt.f90 rfmtsm.f90 rbshtip.f90 rfshtip.f90 zbshtip.f90 zfshtip.f90 \ - cbsht.f90 cbshtip.f90 cfshtip.f90 gencvclmt.f90 zcfmtinp.f90 zcfinp.f90 \ - cpotcoul.f90 ggamt_3.f90 ggair_3.f90 piezoelt.f90 magnetoelt.f90 zftcf.f90 \ -- rmtavrg.f90 zlrzncnv.f90 efieldmt.f90 writeefield.f90 -+ rmtavrg.f90 zlrzncnv.f90 efieldmt.f90 writeefield.f90 mkl_stub.f90 +@@ -96,7 +96,7 @@ SRC_main1 = \ + rfmtsm.f90 rbshtip.f90 rfshtip.f90 zbshtip.f90 zfshtip.f90 cbsht.f90 \ + cbshtip.f90 cfshtip.f90 gencvclmt.f90 zcfmtinp.f90 zcfinp.f90 \ + ggamt_3.f90 ggair_3.f90 piezoelt.f90 magnetoelt.f90 rmtavrg.f90 \ +- zlrzncnv.f90 efieldmt.f90 writeefield.f90 sort.f90 ++ zlrzncnv.f90 efieldmt.f90 writeefield.f90 sort.f90 mkl_stub.f90 SRC_main = $(SRC_main0) $(SRC_main1)