Date: Wed, 19 Sep 2018 21:33:19 +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: r480113 - in head/science: . py-chempy Message-ID: <201809192133.w8JLXJIW016608@repo.freebsd.org>
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Author: yuri Date: Wed Sep 19 21:33:18 2018 New Revision: 480113 URL: https://svnweb.freebsd.org/changeset/ports/480113 Log: New port: science/py-chempy: Package useful useful for solving problems in chemistry Added: head/science/py-chempy/ head/science/py-chempy/Makefile (contents, props changed) head/science/py-chempy/distinfo (contents, props changed) head/science/py-chempy/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Wed Sep 19 21:22:42 2018 (r480112) +++ head/science/Makefile Wed Sep 19 21:33:18 2018 (r480113) @@ -200,6 +200,7 @@ SUBDIR += py-abipy SUBDIR += py-ase SUBDIR += py-cdo + SUBDIR += py-chempy SUBDIR += py-coards SUBDIR += py-dlib SUBDIR += py-gpaw Added: head/science/py-chempy/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-chempy/Makefile Wed Sep 19 21:33:18 2018 (r480113) @@ -0,0 +1,32 @@ +# $FreeBSD$ + +PORTNAME= chempy +DISTVERSION= 0.7.2 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Package useful useful for solving problems in chemistry + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}bokeh>=0.11.1:www/py-bokeh@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}PuLP>=1.6.8:math/py-PuLP@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pyneqsys>=0.5.4:math/py-pyneqsys@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pyodesys>=0.12.3:math/py-pyodesys@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pyparsing>=2.0.3:devel/py-pyparsing@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}quantities>=0.12.1:science/py-quantities@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>=1.0.1:science/py-scipy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}sym>=0.3.4:math/py-sym@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}sympy>=1.1.1:math/py-sympy@${PY_FLAVOR} \ + ${NUMPY} +RUN_DEPENDS:= ${BUILD_DEPENDS} + +USES= python +USE_PYTHON= distutils autoplist +NO_ARCH= yes + +.include <bsd.port.mk> Added: head/science/py-chempy/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-chempy/distinfo Wed Sep 19 21:33:18 2018 (r480113) @@ -0,0 +1,3 @@ +TIMESTAMP = 1537215248 +SHA256 (chempy-0.7.2.tar.gz) = 1dd9bc1d2a69c1e61c5b042d73d9bf00804b3d60f46510fbca878c5ead2d62f0 +SIZE (chempy-0.7.2.tar.gz) = 162100 Added: head/science/py-chempy/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-chempy/pkg-descr Wed Sep 19 21:33:18 2018 (r480113) @@ -0,0 +1,17 @@ +ChemPy is a Python package useful for chemistry (mainly +physical/inorganic/analytical chemistry). Currently it includes: +* Numerical integration routines for chemical kinetics (ODE solver front-end) +* Integrated rate expressions (and convenience fitting routines) +* Solver for equilibria (including multiphase systems) +* Relations in physical chemistry: + * Debye-Huckel expressions + * Arrhenius & Eyring equation + * Einstein-Smoluchowski equation +* Properties (pure python implementations from the litterature) + * water density as function of temperature + * water permittivity as function of temperature and pressure + * water diffusivity as function of temperature + * water viscosity as function of temperature + * sulfuric acid density as function of temperature & weight fraction H2SO4 + +WWW: https://github.com/bjodah/chempy
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