Date: Fri, 15 Jun 2018 23:49:36 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r472503 - in head/science: . py-pymatgen Message-ID: <201806152349.w5FNnaE1041518@repo.freebsd.org>
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Author: yuri Date: Fri Jun 15 23:49:36 2018 New Revision: 472503 URL: https://svnweb.freebsd.org/changeset/ports/472503 Log: New port: science/py-pymatgen: Python Materials Genomics is a robust materials analysis code Added: head/science/py-pymatgen/ head/science/py-pymatgen/Makefile (contents, props changed) head/science/py-pymatgen/distinfo (contents, props changed) head/science/py-pymatgen/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Fri Jun 15 23:25:56 2018 (r472502) +++ head/science/Makefile Fri Jun 15 23:49:36 2018 (r472503) @@ -181,6 +181,7 @@ SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pydicom + SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal Added: head/science/py-pymatgen/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-pymatgen/Makefile Fri Jun 15 23:49:36 2018 (r472503) @@ -0,0 +1,33 @@ +# $FreeBSD$ + +PORTNAME= pymatgen +DISTVERSION= 2018.6.11 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Python Materials Genomics is a robust materials analysis code + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE.rst + +BUILD_DEPENDS= ${PYNUMPY} +RUN_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>=1.5:math/py-matplotlib@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}monty>=0.9.6:devel/py-monty@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}palettable>=2.1.1:misc/py-palettable@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pydispatcher>=2.0.5:devel/py-pydispatcher@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}ruamel.yaml>=0.15.6:devel/py-ruamel.yaml@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>=1.0.1:science/py-scipy@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}spglib>=1.9.9.44:science/py-spglib@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}sympy>0:math/py-sympy@${FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}tabulate>0:devel/py-tabulate@${FLAVOR} + +USES= python +USE_PYTHON= distutils autoplist + +.include <bsd.port.mk> Added: head/science/py-pymatgen/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-pymatgen/distinfo Fri Jun 15 23:49:36 2018 (r472503) @@ -0,0 +1,3 @@ +TIMESTAMP = 1529101902 +SHA256 (pymatgen-2018.6.11.tar.gz) = be1b2f101abf6477b5388b3112c5e4d0ff8f0f6cefb7f9d3d509a88882c515ed +SIZE (pymatgen-2018.6.11.tar.gz) = 1740814 Added: head/science/py-pymatgen/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-pymatgen/pkg-descr Fri Jun 15 23:49:36 2018 (r472503) @@ -0,0 +1,14 @@ +Pymatgen (Python Materials Genomics) is a robust, open-source Python library +for materials analysis. These are some of the main features: +* Highly flexible classes for the representation of Element, Site, Molecule, + Structure objects. +* Extensive input/output support, including support for VASP + (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, + Gaussian, XYZ, and many other file formats. +* Powerful analysis tools, including generation of phase diagrams, Pourbaix + diagrams, diffusion analyses, reactions, etc. +* Electronic structure analyses, such as density of states and band structure. +* Integration with the Materials Project REST API, Crystallography Open + Database. + +WWW: http://pymatgen.org/
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