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PORTNAME= chempy
DISTVERSION= 0.9.0
PORTREVISION= 1
CATEGORIES= science python # chemistry
MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Package useful for solving problems in chemistry
WWW= https://github.com/bjodah/chempy
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
PY_DEPENDS= ${PYTHON_PKGNAMEPREFIX}dot2tex>=2.11.3:print/dot2tex@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}matplotlib>=2.2.3:math/py-matplotlib@${PY_FLAVOR} \
${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}PuLP>=1.6.8:math/py-PuLP@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pyneqsys>=0.5.5:math/py-pyneqsys@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pyodesys>=0.14.1:math/py-pyodesys@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pyparsing>=2.0.3:devel/py-pyparsing@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}quantities>=0.12.1:science/py-quantities@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}scipy>=1.0.1:science/py-scipy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}sym>=0.3.4:math/py-sym@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}sympy>=1.1.1:math/py-sympy@${PY_FLAVOR}
BUILD_DEPENDS= ${PY_DEPENDS}
RUN_DEPENDS= ${PY_DEPENDS}
TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}black>0:devel/py-black@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pytest-cov>0:devel/py-pytest-cov@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pytest-flakes>0:devel/py-pytest-flakes@${PY_FLAVOR} \
gsl>0:math/gsl
USES= localbase:ldflags python # localbase and math/gsl are only for tests
USE_PYTHON= distutils autoplist pytest # 5 tests fail, see https://github.com/bjodah/chempy/issues/222
NO_ARCH= yes
CONFLICTS_INSTALL= ${PYTHON_PKGNAMEPREFIX}pymol # https://github.com/schrodinger/pymol-open-source/issues/100
OPTIONS_DEFINE= EXTRAS
OPTIONS_DEFAULT= EXTRAS
EXTRAS_DESC= Install optional dependencies for additional functionality
EXTRAS_RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}appdirs>0:devel/py-appdirs@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}bokeh>=0.13.0:www/py-bokeh@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}ipywidgets>0:devel/py-ipywidgets@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pycodeexport>=0.1.3:devel/py-pycodeexport@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pycompilation>=0.4.12:devel/py-pycompilation@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pygslodeiv2>=0.9.4:math/py-pygslodeiv2@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pyodeint>=0.10.4:math/py-pyodeint@${PY_FLAVOR}
# TODO pycvodes>=0.14.0, pykinsol>=0.1.6
.include <bsd.port.mk>
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