diff --git a/science/elk/Makefile b/science/elk/Makefile index 3283d6ae314a..21be22918959 100644 --- a/science/elk/Makefile +++ b/science/elk/Makefile @@ -1,82 +1,82 @@ PORTNAME= elk -DISTVERSION= 8.8.26 +DISTVERSION= 9.2.5 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 5c1e8c6012cb..0e03030c6737 100644 --- a/science/elk/distinfo +++ b/science/elk/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1687119222 -SHA256 (elk-chemistry/elk-8.8.26.tgz) = f0d397a0e2fd8b6f74bc9fccc03fae701bb348e3f08ca143d41757f5f6cf794a -SIZE (elk-chemistry/elk-8.8.26.tgz) = 3761784 +TIMESTAMP = 1699981176 +SHA256 (elk-chemistry/elk-9.2.5.tgz) = 8afbcc704ef88ee31acbf63193844fa7a1b66366eb29f5f2721b9a430c96c613 +SIZE (elk-chemistry/elk-9.2.5.tgz) = 3296671 diff --git a/science/elk/files/patch-src_Makefile b/science/elk/files/patch-src_Makefile index 34ae7b3957f3..31ec18022501 100644 --- a/science/elk/files/patch-src_Makefile +++ b/science/elk/files/patch-src_Makefile @@ -1,11 +1,12 @@ ---- src/Makefile.orig 2023-06-18 20:17:56 UTC +--- src/Makefile.orig 2023-11-13 10:04:33 UTC +++ src/Makefile -@@ -92,7 +92,7 @@ SRC_main1 = \ - rfmtftoc.f90 zminv.f90 symrf.f90 genvmat.f90 writeeval.f90 mixerifc.f90 \ - splinew.f90 nfftifc.f90 batchdv.f90 readevalsv.f90 readoccsv.f90 z2mm.f90 \ - z2mctm.f90 z2mmct.f90 zmctmu.f90 zmctm.f90 rzmctmu.f90 moldyn.f90 gencrho.f90 \ -- cpotclmt.f90 rfmtsm.f90 -+ cpotclmt.f90 rfmtsm.f90 mkl_stub.f90 +@@ -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 \ ++ mkl_stub.f90 SRC_main = $(SRC_main0) $(SRC_main1)