diff --git a/science/abinit/Makefile b/science/abinit/Makefile index 32b7beba5155..d062eff5a507 100644 --- a/science/abinit/Makefile +++ b/science/abinit/Makefile @@ -1,97 +1,97 @@ PORTNAME= abinit -DISTVERSION= 9.8.4 +DISTVERSION= 9.10.1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Full-featured atomic-scale first-principles simulation software WWW= https://www.abinit.org LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING ONLY_FOR_ARCHS= amd64 powerpc64 powerpc64le BUILD_DEPENDS= gm4:devel/m4 \ ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}pygments>=0:textproc/py-pygments@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}graphviz>0:graphics/py-graphviz@${PY_FLAVOR} LIB_DEPENDS= libelpa.so:math/elpa \ libsz.so:science/libaec \ libelpa.so:math/elpa \ libxc.so:science/libxc \ libfftw3.so:math/fftw3 \ libhdf5.so:science/hdf5 \ libxml2.so:textproc/libxml2 \ libnetcdf.so:science/netcdf \ libxmlf90.so:textproc/xmlf90 \ libwannier.so:science/wannier90 \ libnetcdff.so:science/netcdf-fortran RUN_DEPENDS= atompaw:science/atompaw TEST_DEPENDS= ${PYNUMPY} \ libyaml>0:textproc/libyaml USES= autoreconf:build blaslapack:netlib fortran gmake gnome localbase:ldflags \ python:3.7+ shebangfix USE_GITHUB= yes USE_GNOME= libxml2 SHEBANG_FILES= config/scripts/* doc/tutorial/paral_bandpw_assets/abinit.sub.* SHEBANG_GLOB= *.py GNU_CONFIGURE= yes CONFIGURE_ENV= CC_LDFLAGS="${LDFLAGS}" CXX_LDFLAGS="${LDFLAGS}" FC_LDFLAGS="${LDFLAGS}" \ H5CC="${LOCALBASE}/bin/h5cc" \ HDF5_CFLAGS="-I${LOCALBASE}/include" \ HDF5_LDFLAGS="-L${LOCALBASE}/lib -lhdf5" \ LINALG_FCFLAGS="-I${LOCALBASE}/include/elpa-2019.05.002/modules" \ LINALG_LIBS="${BLASLIB} ${LAPACKLIB} -lelpa" \ NETCDF_FORTRAN_FCFLAGS=-I${LOCALBASE}/include \ XMLF90_FCFLAGS=-I${LOCALBASE}/include \ WANNIER90_LIBS="${BLASLIB} ${LAPACKLIB} -lwannier" CONFIGURE_ARGS= --with-fft --with-libxc --with-libxml2 --with-netcdf \ --with-netcdf-fortran --with-wannier90 --with-xmlf90 FCFLAGS+= -ffree-line-length-none TEST_TARGET= tests_abirules tests_buildsys # Many tests print RuntimeError, https://github.com/abinit/abinit/issues/64 TEST_WRKSRC= ${WRKSRC}/abichecks PORTDOCS= * OPTIONS_DEFINE= DOCS OPENMP MPI OPTIONS_DEFAULT= OPENMP MPI OPENMP_CONFIGURE_ENABLE= openmp OPENMP_LDFLAGS= -lomp MPI_CONFIGURE_WITH= mpi=yes # fftw3 not enabled because libfftw3_mpi is required but not packaged MPI_VARS= FFLAGS+=-I${LOCALBASE}/include FCFLAGS+=-I${LOCALBASE}/include \ CONFIGURE_ENV+=MPI_LIBS="`pkg-config --libs mpich` -lmpifort" \ CONFIGURE_ENV+MPI_LDFLAGS="`pkg-config --libs mpich` -lmpifort" MPI_BUILD_DEPENDS= mpich>0:net/mpich MPI_RUN_DEPENDS= mpich>0:net/mpich .if defined(WITH_LEVMAR) # --with-levmar seems deprecated LIB_DEPENDS+= liblevmar.so:math/levmar CONFIGURE_ENV+= LEVMAR_LIBS="-llevmar ${BLASLIB} ${LAPACKLIB}" CONFIGURE_ARGS+= --with-levmar .endif .include .if ${GCC_DEFAULT} >= 10 FCFLAGS+= -fallow-argument-mismatch # see https://github.com/abinit/abinit/issues/41 .endif pre-configure: (cd ${WRKSRC} && ./autogen.sh) post-install-DOCS-on: ${REINPLACE_CMD} -e 's|/usr/bin/env python|${PYTHON_CMD}|' \ ${WRKSRC}/doc/tutorial/paral_moldyn_assets/diag_moldyn.py ${RM} ${WRKSRC}/doc/tutorial/paral_moldyn_assets/diag_moldyn.py.bak @${MKDIR} ${STAGEDIR}${DOCSDIR} ${CP} -R ${WRKSRC}/doc/tutorial ${STAGEDIR}${DOCSDIR} pre-test: ${TOUCH} ${TEST_WRKSRC}/make.log .include diff --git a/science/abinit/distinfo b/science/abinit/distinfo index cab8c15bb51f..473a63b4d17f 100644 --- a/science/abinit/distinfo +++ b/science/abinit/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1686597792 -SHA256 (abinit-abinit-9.8.4_GH0.tar.gz) = 1b981140cb837c22f037a5dc8ec9769c007517e972ba667396ee300e006f543d -SIZE (abinit-abinit-9.8.4_GH0.tar.gz) = 128443869 +TIMESTAMP = 1687851225 +SHA256 (abinit-abinit-9.10.1_GH0.tar.gz) = 0b644d96b7e3b87054be0335ee251127d8bcaf61da0c7778eff8d084298f759b +SIZE (abinit-abinit-9.10.1_GH0.tar.gz) = 130743125 diff --git a/science/abinit/pkg-plist b/science/abinit/pkg-plist index 26ce29208346..a3fdf5bdf0fd 100644 --- a/science/abinit/pkg-plist +++ b/science/abinit/pkg-plist @@ -1,24 +1,24 @@ bin/abinit bin/abitk bin/aim bin/anaddb bin/atdep bin/band2eps bin/conducti bin/cut3d bin/dummy_tests bin/fftprof bin/fold2Bloch bin/ioprof bin/lapackprof +bin/lruj bin/macroave bin/mrgddb bin/mrgdv bin/mrggkk bin/mrgscr bin/multibinit bin/optic bin/testtransposer -bin/ujdet bin/vdw_kernelgen libdata/pkgconfig/abinit.pc