svn commit: r480113 - in head/science: . py-chempy
Yuri Victorovich
yuri at FreeBSD.org
Wed Sep 19 21:33:20 UTC 2018
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 at 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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