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| author | yuri <yuri@FreeBSD.org> | 2018-09-14 13:37:12 +0800 |
|---|---|---|
| committer | yuri <yuri@FreeBSD.org> | 2018-09-14 13:37:12 +0800 |
| commit | ab999956c0c7e302ac269a71a43b9b7330dd5722 (patch) | |
| tree | bb4f81b5801bf08bf06ac99076415493e942496a /science | |
| parent | 386875ac71d35144bb2f19bf5640e8f5c4118360 (diff) | |
| download | freebsd-ports-gnome-ab999956c0c7e302ac269a71a43b9b7330dd5722.tar.gz freebsd-ports-gnome-ab999956c0c7e302ac269a71a43b9b7330dd5722.tar.zst freebsd-ports-gnome-ab999956c0c7e302ac269a71a43b9b7330dd5722.zip | |
New port: science/py-phono3py: Software to calculate phonon-phonon interaction and related properties
Diffstat (limited to 'science')
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-phono3py/Makefile | 32 | ||||
| -rw-r--r-- | science/py-phono3py/distinfo | 3 | ||||
| -rw-r--r-- | science/py-phono3py/pkg-descr | 9 |
4 files changed, 45 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 080d13cd2cee..55d15fb80972 100644 --- a/science/Makefile +++ b/science/Makefile @@ -214,6 +214,7 @@ SUBDIR += py-obspy SUBDIR += py-openpiv SUBDIR += py-paida + SUBDIR += py-phono3py SUBDIR += py-phonopy SUBDIR += py-pupynere SUBDIR += py-pyaixi diff --git a/science/py-phono3py/Makefile b/science/py-phono3py/Makefile new file mode 100644 index 000000000000..f24678c9c33d --- /dev/null +++ b/science/py-phono3py/Makefile @@ -0,0 +1,32 @@ +# $FreeBSD$ + +PORTNAME= phono3py +DISTVERSION= 1.13.3.27 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Software to calculate phonon-phonon interaction and related properties + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}phonopy>=1.13.2:science/py-phonopy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR} \ + ${LOCALBASE}/include/lapacke.h:math/lapacke +LIB_DEPENDS= libomp.so:devel/openmp \ + libopenblas.so:math/openblas +RUN_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}phonopy>=1.13.2:science/py-phonopy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR} + +USES= localbase python +USE_PYTHON= distutils cython autoplist + +.include <bsd.port.mk> diff --git a/science/py-phono3py/distinfo b/science/py-phono3py/distinfo new file mode 100644 index 000000000000..af68f5871daf --- /dev/null +++ b/science/py-phono3py/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1536901529 +SHA256 (phono3py-1.13.3.27.tar.gz) = f03cec828b135365bd945cd846dd60b181dc0145792cc07f186b99c9c411a8e4 +SIZE (phono3py-1.13.3.27.tar.gz) = 5477899 diff --git a/science/py-phono3py/pkg-descr b/science/py-phono3py/pkg-descr new file mode 100644 index 000000000000..2e10c7654608 --- /dev/null +++ b/science/py-phono3py/pkg-descr @@ -0,0 +1,9 @@ +This software calculates phonon-phonon interaction and related properties using +the supercell approach. For example, the following physical properties are +obtained: +* Lattice thermal conductivity (RTA and direct solution of LBTE) +* Phonon lifetime/linewidth +* Imaginary part of self energy +* Joint density of states (JDOS) and weighted-JDOS + +WWW: https://atztogo.github.io/phono3py/ |