diff --git a/science/elk/Makefile b/science/elk/Makefile index ad2fbbfc080d..cff25347bf54 100644 --- a/science/elk/Makefile +++ b/science/elk/Makefile @@ -1,83 +1,82 @@ PORTNAME= elk -DISTVERSION= 9.2.5 -PORTREVISION= 2 +DISTVERSION= 9.2.12 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 .include diff --git a/science/elk/distinfo b/science/elk/distinfo index 0e03030c6737..1c7f412228d8 100644 --- a/science/elk/distinfo +++ b/science/elk/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1699981176 -SHA256 (elk-chemistry/elk-9.2.5.tgz) = 8afbcc704ef88ee31acbf63193844fa7a1b66366eb29f5f2721b9a430c96c613 -SIZE (elk-chemistry/elk-9.2.5.tgz) = 3296671 +TIMESTAMP = 1702974314 +SHA256 (elk-chemistry/elk-9.2.12.tgz) = a8b536ddeb0f173b9273941da3513a6919f7916b07532e16a050a9d224b7ef02 +SIZE (elk-chemistry/elk-9.2.12.tgz) = 3299231 diff --git a/science/elk/files/patch-src_Makefile b/science/elk/files/patch-src_Makefile index 31ec18022501..6eaf8fa49a31 100644 --- a/science/elk/files/patch-src_Makefile +++ b/science/elk/files/patch-src_Makefile @@ -1,12 +1,12 @@ ---- src/Makefile.orig 2023-11-13 10:04:33 UTC +--- src/Makefile.orig 2023-12-12 13:40:27 UTC +++ src/Makefile @@ -96,7 +96,8 @@ SRC_main1 = \ cpotclmt.f90 rfmtsm.f90 rbshtip.f90 rfshtip.f90 zbshtip.f90 zfshtip.f90 \ writejw.f90 cbsht.f90 cbshtip.f90 cfshtip.f90 gencvclmt.f90 \ zcfmtinp.f90 zcfinp.f90 cpotcoul.f90 ggamt_5b.f90 ggamt_5c.f90 ggair_5b.f90 \ -- ggair_5c.f90 piezoelt.f90 magnetoelt.f90 zftcf.f90 trimrfg.f90 -+ ggair_5c.f90 piezoelt.f90 magnetoelt.f90 zftcf.f90 trimrfg.f90 \ +- ggair_5c.f90 piezoelt.f90 magnetoelt.f90 zftcf.f90 trimrfg.f90 rmtavrg.f90 ++ ggair_5c.f90 piezoelt.f90 magnetoelt.f90 zftcf.f90 trimrfg.f90 rmtavrg.f90 \ + mkl_stub.f90 SRC_main = $(SRC_main0) $(SRC_main1)