Added recipe for kwant #1446
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| #!/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 | ||
| $PYTHON setup.py build | ||
| $PYTHON setup.py install |
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| [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 |
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| [lapack] | ||
| libraries = | ||
| extra_link_args = -Wl,-framework -Wl,Accelerate | ||
| [mumps] | ||
| include_dirs = $(PREFIX)/include | ||
| library_dirs = $(PREFIX)/lib | ||
| libraries = zmumps mumps_common pord metis esmumps scotch scotcherr mpiseq gfortran |
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| {% set name = "kwant" %} | ||
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| package: | ||
| name: {{ name }} | ||
| version: "1.2.2" [py3k] | ||
| version: "1.1.2" [py27] | ||
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| source: | ||
| git_url: https://gitlab.kwant-project.org/kwant/kwant.git | ||
| git_tag: v1.2.2 [py3k] | ||
| git_tag: v1.1.2 [py27] | ||
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There was a problem hiding this comment. @basnijholt change the top of your recipe to {% set name = "kwant" %}
{% set py3k_ver = "1.2.2" %}
{% set py2k_ver = "1.1.2" %}
package:
name: {{ name }}
version: {{ py3k_ver }} # [py3k]
version: {{ py2k_ver }} # [py2k]
source:
fn: v{{ version }}.tar.gz
url: https://gitlab.kwant-project.org/kwant/kwant/archive/v{{ version }}.tar.gz
sha256: 8c20230f266622e5fa4c75fd3b1e8018d9a99643e71b86a7e91cb7b6902d8620 # [py3k]
sha256: 3229009580e33e58f5cfb8405c44f8146b89b621b6ebe599166ef9add8ec9755 # [py2k]That also fixed the linter issue locally for me. BTW do the different version reflect the Python versions? If so maybe adding a There was a problem hiding this comment. Thanks a lot! This fixed the issue :) |
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| build: | ||
| skip: true # [win] | ||
| number: 0 | ||
| binary_relocation: true | ||
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| requirements: | ||
| build: | ||
| - python | ||
| - gcc | ||
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There was a problem hiding this comment. Please use |
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| - openblas # [linux] | ||
| - mumps_seq | ||
| - numpy | ||
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There was a problem hiding this comment. Is it linking to There was a problem hiding this comment. Yes, it is linking to |
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| - matplotlib | ||
| - scipy | ||
| - cython | ||
| - nose | ||
| - tinyarray | ||
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There was a problem hiding this comment. Are all of these needed at build time or can some of them be dropped (e.g. There was a problem hiding this comment. I removed There was a problem hiding this comment. Yeah the comment moved. Seems like some GitHub bug with diffs. Thanks for doing that though. |
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| run: | ||
| - python | ||
| - openblas # [linux] | ||
| - mumps_seq | ||
| - numpy | ||
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| - matplotlib | ||
| - scipy | ||
| - cython | ||
| - nose | ||
| - tinyarray | ||
| - libgcc | ||
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There was a problem hiding this comment. Please drop this as it is unneeded. There was a problem hiding this comment. I suspect we only need one of these. Maybe just There was a problem hiding this comment. They are both needed I think, see this build of this commit 471c711 There was a problem hiding this comment. I see. So it does need C++. Please add There was a problem hiding this comment. This strategy is used for xref: conda-forge/scipy-feedstock#2 There was a problem hiding this comment. I did what you suggested, but still getting this error: There was a problem hiding this comment. Adding |
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| - libgfortran # [linux] | ||
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There was a problem hiding this comment. Please drop this as it should also be unneeded. |
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| 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 | ||
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| about: | ||
| home: http://kwant-project.org/ | ||
| license: BSD | ||
| license_file: LICENSE.rst | ||
| 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/ | ||
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| extra: | ||
| recipe-maintainers: | ||
| - basnijholt | ||
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The linter is choking here. You can lint a recipe locally with
conda smithy recipe-lint.