mirror of https://github.com/triqs/dft_tools
56 lines
1.2 KiB
YAML
56 lines
1.2 KiB
YAML
{% set version = "3.1.0" %}
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package:
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name: triqs_dft_tools
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version: {{ version }}
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source:
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url: https://github.com/TRIQS/dft_tools/releases/download/{{ version }}/dft_tools-{{ version }}.tar.gz
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sha256: PUT HERE THE SHA256 OF YOUR RELEASE TARBALL
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build:
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number: 0
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skip: True # [win or py<30]
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requirements:
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build:
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- cmake
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- make
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- {{ compiler('c') }}
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- {{ compiler('cxx') }}
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- {{ compiler('fortran') }}
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host:
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- triqs {{ '.'.join(version.split('.')[:2]) }}
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- boost-cpp
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- {{ mpi }}
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- libblas
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- liblapack
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- python
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run:
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- {{ pin_compatible("triqs", max_pin="x.x") }}
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- {{ mpi }}
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- libblas
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- liblapack
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- python
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test:
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commands:
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- export OMPI_MCA_btl=self,tcp
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- export OMPI_MCA_plm=isolated
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- export OMPI_MCA_rmaps_base_oversubscribe=yes
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- export OMPI_MCA_btl_vader_single_copy_mechanism=none
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- export mpiexec="mpiexec --allow-run-as-root"
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- python -c "import triqs_dft_tools"
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about:
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home: https://triqs.github.io/dft_tools
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license: GPL-3.0-or-later
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license_family: GPL
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license_file: LICENSE.txt
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summary: 'Toolbox for ab initio calculations of correlated materials'
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extra:
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recipe-maintainers:
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- wentzell
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- pgunn
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