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PORTNAME= mopac
DISTVERSIONPREFIX= v
DISTVERSION= 22.1.1
PORTEPOCH= 1
CATEGORIES= science # chemistry
MAINTAINER= yuri@FreeBSD.org
COMMENT= Semi-empirical (MNDO, etc.) molecular orbital calculation
WWW= http://openmopac.net/
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/COPYING
TEST_DEPENDS= ${PYNUMPY}
USES= blaslapack:openblas cmake:testing fortran python:test
USE_LDCONFIG= yes
USE_GITHUB= yes
GH_ACCOUNT= openmopac
CMAKE_OFF= TESTS
CMAKE_TESTING_ON= TESTS
CMAKE_ARGS= -DPython3_EXECUTABLE=${PYTHON_CMD} #-DPython3_NumPy_INCLUDE_DIRS=${PYTHONPREFIX_SITELIBDIR}/numpy/core/include
PLIST_FILES= bin/mopac \
bin/mopac-makpol \
bin/mopac-param \
lib/libmopac.so \
lib/libmopac.so.1
.include <bsd.port.mk>
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