Thierry Thomas
40 lines
1.1 KiB
Makefile
40 lines
1.1 KiB
Makefile
PORTNAME= mopac
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DISTVERSIONPREFIX= v
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DISTVERSION= 23.2.5
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PORTREVISION= 2
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PORTEPOCH= 1
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CATEGORIES= science # chemistry
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Semi-empirical (MNDO, etc.) molecular orbital calculation
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WWW= http://openmopac.net \
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https://github.com/openmopac/mopac
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LICENSE= APACHE20
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LICENSE_FILE= ${WRKSRC}/LICENSE
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TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR}
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USES= blaslapack:openblas cmake:testing fortran python:test
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USE_LDCONFIG= yes
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USE_GITHUB= yes
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GH_ACCOUNT= openmopac
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CMAKE_OFF= TESTS
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CMAKE_TESTING_ON= TESTS # all tests pass
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CMAKE_ARGS= -DPython3_EXECUTABLE=${PYTHON_CMD} #-DPython3_NumPy_INCLUDE_DIRS=${PYTHONPREFIX_SITELIBDIR}/numpy/core/include
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PLIST_FILES= bin/mopac \
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bin/mopac-makpol \
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bin/mopac-param \
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include/mopac.h \
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lib/libmopac.so \
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lib/libmopac.so.2
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# tests as of 23.1.2: 100% tests passed, 0 tests failed out of 125
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# tests as of 23.2.2: 99% tests passed, 1 tests failed out of 125, see https://github.com/openmopac/mopac/issues/302
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# tests as of 23.2.5: 99% tests passed, 1 tests failed out of 125, 1 failure is safe to ignore
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.include <bsd.port.mk>
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