Merge pull request #1446 from basnijholt/kwant

Added recipe for kwant

recipes/kwant/build.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+platform='unknown'
+unamestr=`uname`
+if [[ "$unamestr" == 'Darwin' ]]; then
+   cp $RECIPE_DIR/build_mac.conf build.conf
+else
+   cp $RECIPE_DIR/build_linux.conf build.conf
+fi
+sed -i -e "s:PREFIX:$PREFIX:g" build.conf
+
+export LIBRARY_PATH="${PREFIX}/lib"
+export LD_LIBRARY_PATH="${PREFIX}/lib"
+
+$PYTHON setup.py build
+$PYTHON setup.py install

recipes/kwant/build_linux.conf

@@ -0,0 +1,9 @@
+[lapack]
+library_dirs = PREFIX/lib
+libraries = openblas gfortran
+extra_link_args = -Wl,-rpath=PREFIX/lib
+[mumps]
+include_dirs = PREFIX/include
+library_dirs = PREFIX/lib
+libraries = zmumps mumps_common pord metis esmumps scotch scotcherr mpiseq gfortran
+extra_link_args = -Wl,-rpath=PREFIX/lib

recipes/kwant/build_mac.conf

@@ -0,0 +1,9 @@
+[lapack]
+library_dirs = PREFIX/lib
+libraries = openblas gfortran
+extra_link_args = -Wl,-rpath,PREFIX/lib
+[mumps]
+include_dirs = PREFIX/include
+library_dirs = PREFIX/lib
+libraries = zmumps mumps_common pord metis esmumps scotch scotcherr mpiseq gfortran
+extra_link_args = -Wl,-rpath,PREFIX/lib

recipes/kwant/meta.yaml

@@ -0,0 +1,78 @@
+{% set name = "kwant" %}
+{% set version = "1.1.2" %}
+{% set variant = "openblas" %}
+
+package:
+  name: {{ name }}
+  version: {{ version }}
+
+source:
+  fn: v{{ version }}.tar.gz
+  url: https://gitlab.kwant-project.org/kwant/kwant/repository/archive.tar.gz?ref=v{{ version }}
+  sha256: a47544a8416b19a56da3d511610c9e09ed3bf84f66461d9f95f0f6fefebd0179
+
+build:
+  skip: true  # [win or py3k]
+  number: 200
+  features:
+    - blas_{{ variant }}
+
+requirements:
+  build:
+    - python
+    - toolchain
+    - gcc  # [osx]
+    - blas 1.1 {{ variant }}
+    - openblas 0.2.18|0.2.18.*
+    - mumps
+    - numpy x.x
+    - scipy
+    - cython
+    - nose
+    - tinyarray
+    - libgfortran  # [linux]
+
+  run:
+    - python
+    - blas 1.1 {{ variant }}
+    - openblas 0.2.18|0.2.18.*
+    - mumps
+    - numpy x.x
+    - matplotlib
+    - scipy
+    - cython
+    - nose
+    - tinyarray
+    - libgfortran
+
+test:
+  imports:
+    - kwant
+    - kwant.graph
+    - kwant.graph.tests
+    - kwant.linalg
+    - kwant.linalg.tests
+    - kwant.physics
+    - kwant.physics.tests
+    - kwant.solvers
+    - kwant.solvers.tests
+    - kwant.tests
+
+about:
+  home: http://kwant-project.org/
+  license: BSD 2-Clause
+  license_file: LICENSE.rst
+  license_family: BSD
+  summary: 'Package for numerical quantum transport calculations.'
+  description: |
+    Kwant is a free (open source) Python package for numerical calculations on 
+    tight-binding models with a strong focus on quantum transport. It is designed to 
+    be flexible and easy to use. Thanks to the use of innovative algorithms, Kwant 
+    is often faster than other available codes, even those entirely written in the 
+    low level FORTRAN and C/C++ languages.
+  doc_url: https://kwant-project.org/doc/1/
+  dev_url: https://gitlab.kwant-project.org/kwant/kwant/
+
+extra:
+  recipe-maintainers:
+    - basnijholt

recipes/kwant/yum_requirements.txt

@@ -0,0 +1 @@
+devtoolset-2-gcc-gfortran