diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-09-19 21:33:18 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-09-19 21:33:18 +0000 |
| commit | 30937302da8e90d8c3081d351222f4bf56f0b28b (patch) | |
| tree | 3fe28b5d557355a83e8071c188f7e3dd34809850 | |
| parent | math/py-PuLP: Add USE_PYTHON=concurrent (diff) | |
New port: science/py-chempy: Package useful useful for solving problems in chemistry
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-chempy/Makefile | 32 | ||||
| -rw-r--r-- | science/py-chempy/distinfo | 3 | ||||
| -rw-r--r-- | science/py-chempy/pkg-descr | 17 |
4 files changed, 53 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 182d4c9e3c73..c78c83930cb7 100644 --- a/science/Makefile +++ b/science/Makefile @@ -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 diff --git a/science/py-chempy/Makefile b/science/py-chempy/Makefile new file mode 100644 index 000000000000..72652d102814 --- /dev/null +++ b/science/py-chempy/Makefile @@ -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> diff --git a/science/py-chempy/distinfo b/science/py-chempy/distinfo new file mode 100644 index 000000000000..0e98dc45adb8 --- /dev/null +++ b/science/py-chempy/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1537215248 +SHA256 (chempy-0.7.2.tar.gz) = 1dd9bc1d2a69c1e61c5b042d73d9bf00804b3d60f46510fbca878c5ead2d62f0 +SIZE (chempy-0.7.2.tar.gz) = 162100 diff --git a/science/py-chempy/pkg-descr b/science/py-chempy/pkg-descr new file mode 100644 index 000000000000..f290b4468d45 --- /dev/null +++ b/science/py-chempy/pkg-descr @@ -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 |