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PORTNAME= dftbplus
DISTVERSION= 24.1
PORTREVISION= 1
CATEGORIES= science
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= DFTB+: Package for performing fast atomistic simulations
WWW= https://dftbplus.org/
LICENSE= GPLv3 # main code is under LGPL3+, the bundled dftd3-lib is under GPLv1+, this makes the result GPLv3 (based on https://www.gnu.org/licenses/gpl-faq.html#AllCompatibility)
RUN_DEPENDS= dftbplus>0:science/dftbplus
USES= compiler:gcc-c++11-lib fortran python shebangfix
SHEBANG_GLOB= *.py
USE_GITHUB= yes
USE_PYTHON= distutils autoplist
WRKSRC_SUBDIR= tools/pythonapi
NO_ARCH= yes
.include <bsd.port.mk>
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