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meta.yaml
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meta.yaml
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# For conda build
package:
name: rmg
version: "0" # set by build.sh, which gets from rmgpy/__init__.py
source:
path: .
build:
number: {{ environ.get('GIT_DESCRIBE_NUMBER', 0) }}
requirements:
build:
- argparse # [py26]
- boost ==1.56.0
- cairo # [unix]
- cairocffi # [unix]
- coverage
- cython ==0.21
- gcc # [unix]
- gcc ==4.8.2 # [linux32]
- gprof2dot
- guppy
- jinja2
- libgcc # [unix]
- markupsafe
- matplotlib
- nose
- numpy
- openbabel
- psutil
- pydas >=1.0.2
- pydot
- pydqed >=1.0.1
- pyparsing
- python
- pyzmq
- quantities
- rdkit >=2015.09.2
- scipy
- scoop
- setuptools
- xlwt
run:
- argparse # [py26]
- cairo # [unix]
- cairocffi # [unix]
- cantera
- coverage
- cython ==0.21
- gprof2dot
- graphviz
- guppy
- jinja2
- libgcc # [unix]
- markupsafe
- matplotlib
- mopac
- nose
- numpy
- openbabel
- psutil
- pydas >=1.0.2
- pydot
- pydqed >=1.0.1
- pyparsing
- python
- pyzmq
- quantities
- rdkit >=2015.09.2
- rmgdatabase >=1.0.2
- scipy
- scoop
- symmetry
- xlwt
test:
requires:
- nose
imports:
- rmgpy
commands:
- cp $PREFIX/lib/python2.7/site-packages/rmgpy/rmgrc $SRC_DIR [unix]
- make -C $SRC_DIR test [unix]
- cp %PREFIX%\Lib\site-packages\rmgpy\rmgrc %SRC_DIR% [win]
- mingw32-make -C %SRC_DIR% test [win]
about:
home: http://github.com/ReactionMechanismGenerator/RMG-Py
license: MIT
summary: "A program for automatically generating kinetic models of chemical reaction mechanisms."