PORTNAME=	phonopy
DISTVERSION=	2.33.3
CATEGORIES=	science python
MASTER_SITES=	PYPI
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Package for phonon calculations at harmonic and quasi-harmonic levels
WWW=		https://phonopy.github.io/phonopy/ \
		https://github.com/phonopy/phonopy

LICENSE=	BSD3CLAUSE
LICENSE_FILE=	${WRKSRC}/LICENSE

BUILD_DEPENDS=	cmake:devel/cmake-core \
		${PYTHON_PKGNAMEPREFIX}nanobind>0:devel/py-nanobind@${PY_FLAVOR} \
		${PYNUMPY} \
		${PYTHON_PKGNAMEPREFIX}scikit-build-core>0:devel/py-scikit-build-core@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}setuptools-scm>=0:devel/py-setuptools-scm@${PY_FLAVOR}
RUN_DEPENDS=	${PYNUMPY} \
		${PYTHON_PKGNAMEPREFIX}h5py>=3.0:science/py-h5py@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}matplotlib>=2.2.2:math/py-matplotlib@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}spglib>=2.3:science/py-spglib@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}symfc>=1.1.6:science/py-symfc@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}pyyaml>=5.3:devel/py-pyyaml@${PY_FLAVOR}
TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}nose>0:devel/py-nose@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}hiphive>0:science/py-hiphive@${PY_FLAVOR}

USES=		python
USE_PYTHON=	pep517 cython autoplist pytest

TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
TEST_WRKSRC=	${WRKSRC}/test

post-install:
	@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/phonopy/_phonopy${PYTHON_EXT_SUFFIX}.so

# tests as of 2.33.3: 1 failed, 254 passed, 4 skipped, 1 error in 1033.15s (0:17:13) (failure is likely in science/py-symfc with -9999 error)

.include <bsd.port.mk>