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PORTNAME= ukrmol+
DISTVERSION= 3.2
PORTREVISION= 3
CATEGORIES= science # chemistry, physics
MASTER_SITES= https://zenodo.org/record/5799134/files/:out \
https://zenodo.org/record/5799110/files/:in # the project is a sum of two projects, "in" and "out"
DISTFILES= ukrmol-out-${DISTVERSION}${EXTRACT_SUFX}:out \
ukrmol-in-${DISTVERSION}${EXTRACT_SUFX}:in
MAINTAINER= yuri@FreeBSD.org
COMMENT= Code to compute electron and positron scattering from molecules
WWW= https://zenodo.org/record/5799134 #.Yo1lCknMKV4
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/COPYING
BROKEN_aarch64= fails to build: Cannot open module file 'ieee_arithmetic.mod' for reading
LIB_DEPENDS= libGBTO.so:science/gbtolib \
libopenblas.so:math/openblas
USES= cmake:testing fortran python:test
CMAKE_ON= BUILD_SHARED_LIBS
CMAKE_OFF= WITH_MPI BUILD_DOC WITH_GIT BUILD_TESTING
CMAKE_TESTING_ON= BUILD_TESTING
CMAKE_ARGS= -DFREEBSD_DOCSDIR=${DOCSDIR} \
-DFREEBSD_PYTHON_VER=${PYTHON_VER}
CMAKE_ARGS+= -DUKRMOL_OUT_DIR=${WRKSRC_OUT} # the "out" project is built and installed from the "in" project
FFLAGS+= -I${LOCALBASE}/include/gbtolib \
-fdefault-integer-8
LDFLAGS+= -lGBTO
WRKSRC_OUT= ${WRKDIR}/ukrmol-out-${PORTVERSION}
WRKSRC_IN= ${WRKDIR}/ukrmol-in-${PORTVERSION}
WRKSRC= ${WRKSRC_IN}
OPTIONS_DEFINE= DOCS
PORTDOCS= *
post-extract:
@cd ${WRKDIR} && ${LN} -s ukrmol-out-${PORTVERSION} ukrmol-out
post-install:
# remove GBTOlib that it bundles
@cd ${STAGEDIR}${PREFIX} && \
${RM} -r bin/basis_read bin/print_orbital_table bin/scatci_integrals include/gbtolib lib/libGBTO.so
# remove an empty directory
@${RMDIR} ${STAGEDIR}${PREFIX}/include/den
.include <bsd.port.mk>
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