diff --git a/science/py-phonopy/Makefile b/science/py-phonopy/Makefile index 3326b7fe2ea6..9dc162ef29b7 100644 --- a/science/py-phonopy/Makefile +++ b/science/py-phonopy/Makefile @@ -1,29 +1,30 @@ PORTNAME= phonopy -DISTVERSION= 2.10.0 +DISTVERSION= 2.11.0 CATEGORIES= science python MASTER_SITES= CHEESESHOP PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Package for phonon calculations at harmonic and quasi-harmonic levels LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE PY_DEPENDS= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}spglib>0:science/py-spglib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR} BUILD_DEPENDS= ${PY_DEPENDS} RUN_DEPENDS= ${PY_DEPENDS} -TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}nose>0:devel/py-nose@${PY_FLAVOR} +TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}nose>0:devel/py-nose@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}hiphive>0:science/py-hiphive@${PY_FLAVOR} USES= python:3.7+ USE_PYTHON= distutils cython autoplist do-test: @cd ${WRKSRC} && \ ${SETENV} ${MAKE_ENV} ${PYTHON_CMD} ${PYSETUP} test .include diff --git a/science/py-phonopy/distinfo b/science/py-phonopy/distinfo index bbbfc7ca2c48..9d44e89ab952 100644 --- a/science/py-phonopy/distinfo +++ b/science/py-phonopy/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1623363563 -SHA256 (phonopy-2.10.0.tar.gz) = 58485042ab7d88fc8b83744d18b2aefd677adb071c8a717ac3710458192743d7 -SIZE (phonopy-2.10.0.tar.gz) = 3343334 +TIMESTAMP = 1628138083 +SHA256 (phonopy-2.11.0.tar.gz) = 2ab47d3eb53a5265f3567974d29760b510b3312217358b76efc27ade9bd1a9f0 +SIZE (phonopy-2.11.0.tar.gz) = 3348511 diff --git a/science/py-phonopy/pkg-descr b/science/py-phonopy/pkg-descr index 76a48ff89670..75af12838676 100644 --- a/science/py-phonopy/pkg-descr +++ b/science/py-phonopy/pkg-descr @@ -1,20 +1,20 @@ Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels. The following features of phonopy are highlighted: * Phonon band structure, phonon DOS and partial-DOS * Phonon thermal properties: Free energy, heat capacity (Cv), and entropy * Phonon group velocity * Thermal ellipsoids / Mean square displacements * Irreducible representations of normal modes * Dynamic structure factor for INS and IXS * Non-analytical-term correction: LO-TO splitting (Born effective charges and dielectric constant are required.) * Mode Gruneisen parameters * Quasi-harmonic approximation: Thermal expansion, heat capacity at constant pressure (Cp), * Interfaces to calculators: VASP, VASP DFPT, ABINIT, Quantu ESPRESSO, SIESTA, Elk, FHI-aims, WIEN2k, CRYSTAL * Python APIs -WWW: https://atztogo.github.io/phonopy/ +WWW: https://phonopy.github.io/phonopy/