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PORTNAME= octopus
DISTVERSION= 13.0
PORTREVISION= 2
CATEGORIES= science # chemistry
MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/
MAINTAINER= yuri@FreeBSD.org
COMMENT= Scientific program aimed at the ab initio virtual experimentation
WWW= https://octopus-code.org/new-site/main/
LICENSE= GPLv2
BROKEN_aarch64= undefined reference to `__aarch64_cas8_acq_rel' #'`
BUILD_DEPENDS= bash:shells/bash
LIB_DEPENDS= libarpack.so:math/arpack-ng \
libblas.so:math/blas \
libfftw3.so:math/fftw3 \
libfontconfig.so:x11-fonts/fontconfig \
libfreetype.so:print/freetype2 \
libgd.so:graphics/gd \
libgmp.so:math/gmp \
libgsl.so:math/gsl \
liblapack.so:math/lapack \
libmpfr.so:math/mpfr \
libnlopt.so:math/nlopt \
libpng.so:graphics/png \
libsymspg.so:science/spglib \
libtiff.so:graphics/tiff \
libvdwxcfort.so:science/libvdwxc \
libwebp.so:graphics/webp \
libxc.so:science/libxc \
libyaml.so:textproc/libyaml
USES= compiler:c++14-lang fortran gmake jpeg libtool localbase:ldflags perl5 python shebangfix
USE_CXXSTD= c++14
USE_LDCONFIG= yes
SHEBANG_FILES= src/fdep/fortran_dependencies.pl testsuite/performance/create_combinations.py
GNU_CONFIGURE= yes
GNU_CONFIGURE_MANPREFIX= ${PREFIX}/share
CONFIGURE_SHELL= ${PREFIX}/bin/bash
CONFIGURE_ARGS= --enable-shared --disable-static
LDFLAGS+= -lsymspg
FCFLAGS+= -I${LOCALBASE}/include -ffree-line-length-none
INSTALL_TARGET= install-strip
TEST_TARGET= check-short # some tests fail, see https://gitlab.com/octopus-code/octopus/-/issues/805
OPTIONS_DEFINE= OPENMP
OPTIONS_DEFAULT= OPENMP
OPENMP_CONFIGURE_ENABLE= openmp
.include <bsd.port.pre.mk>
# workaround for:
# Error: BOZ literal constant at (1) is neither a data-stmt-constant nor an actual argument to INT, REAL, DBLE, or CMPLX intrinsic function [see '-fno-allow-invalid-boz']
.if ${GCC_DEFAULT} >= 10
FCFLAGS+= -fallow-argument-mismatch -fallow-invalid-boz
.endif
post-stage: # https://gitlab.com/octopus-code/octopus/issues/108
@${RM} ${STAGEDIR}${PREFIX}/include/yaml.h
.include <bsd.port.post.mk>
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