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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-06-16 00:37:35 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-06-16 00:37:35 +0000 |
| commit | 53cdab2eb4db804ef4a555ba5ba4e2068a4c9584 (patch) | |
| tree | 4995632953bec1275a0cddee4c5e9e3c5e4fc0c1 /science | |
| parent | 6a70d66ccf9aac0ad310c3b7dbadc9f434f32bc4 (diff) | |
| download | ports-53cdab2eb4db804ef4a555ba5ba4e2068a4c9584.tar.gz ports-53cdab2eb4db804ef4a555ba5ba4e2068a4c9584.zip | |
New port: science/py-abipy: Library for analyzing the results produced by ABINIT
Notes
Notes:
svn path=/head/; revision=472505
Diffstat (limited to 'science')
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-abipy/Makefile | 36 | ||||
| -rw-r--r-- | science/py-abipy/distinfo | 3 | ||||
| -rw-r--r-- | science/py-abipy/pkg-descr | 9 |
4 files changed, 49 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index e26d02fd63f1..c45e28d6ea42 100644 --- a/science/Makefile +++ b/science/Makefile @@ -165,6 +165,7 @@ SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion + SUBDIR += py-abipy SUBDIR += py-cdo SUBDIR += py-coards SUBDIR += py-dlib diff --git a/science/py-abipy/Makefile b/science/py-abipy/Makefile new file mode 100644 index 000000000000..2a413a86a630 --- /dev/null +++ b/science/py-abipy/Makefile @@ -0,0 +1,36 @@ +# $FreeBSD$ + +PORTNAME= abipy +DISTVERSION= 0.5.0 +CATEGORIES= science python +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Library for analyzing the results produced by ABINIT + +LICENSE= GPLv2 + +BUILD_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}apscheduler>=2.1.0:devel/py-apscheduler@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}html2text>0:textproc/py-html2text@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}netCDF4>0:science/py-netCDF4@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}prettytable>0:devel/py-prettytable@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pydispatcher>=2.0.5:devel/py-pydispatcher@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pymatgen>=2018.6.11:science/py-pymatgen@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}seaborn>0:math/py-seaborn@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}spglib>0:science/py-spglib@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}tabulate>0:devel/py-tabulate@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}tqdm>0:misc/py-tqdm@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}yaml>=3.11:devel/py-yaml@${FLAVOR} + +USES= python shebangfix +USE_GITHUB= yes +GH_ACCOUNT= abinit +SHEBANG_GLOB= *.py +USE_PYTHON= distutils concurrent autoplist + +.include <bsd.port.mk> diff --git a/science/py-abipy/distinfo b/science/py-abipy/distinfo new file mode 100644 index 000000000000..0924b6eb3d4c --- /dev/null +++ b/science/py-abipy/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1529082784 +SHA256 (abinit-abipy-0.5.0_GH0.tar.gz) = 4566f1330e484cb7a552f41a9ca73720d80c408361c5df31e8deec934ff7f17a +SIZE (abinit-abipy-0.5.0_GH0.tar.gz) = 15845254 diff --git a/science/py-abipy/pkg-descr b/science/py-abipy/pkg-descr new file mode 100644 index 000000000000..b60011b7d472 --- /dev/null +++ b/science/py-abipy/pkg-descr @@ -0,0 +1,9 @@ +AbiPy is a Python library to analyze the results produced by ABINIT, an +open-source program for the ab-initio calculations of the physical properties +of materials within Density Functional Theory and Many-Body perturbation theory. +AbiPy also provides tools to generate input files and workflows to automate +ab-initio calculations and typical convergence studies. AbiPy is interfaced with +Pymatgen allowing users to benefit from the different tools and python objects +available in the pymatgen ecosystem. + +WWW: https://pythonhosted.org/abipy/ |