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Provide a first draft of the conda-forge triqs_cthyb package #11054

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Merged
isuruf merged 22 commits into from
Mar 20, 2020
Merged

Provide a first draft of the conda-forge triqs_cthyb package #11054

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b53611d
Add first version of recipe for triqs_cthyb quantum impurity solver
Wentzell Mar 12, 2020
c3aeea3
Incorporate requested changes
Wentzell Mar 13, 2020
6c71be9
remove build requirement clangxx >=8 # [osx]
Wentzell Mar 14, 2020
7ffe094
Explicitly specify Release build type
Wentzell Mar 16, 2020
a95bebc
Fix build- and run-time deps to list dyn libs that are explicitly lin…
Wentzell Mar 17, 2020
7f176ac
Enforce identical build and host dir to fix compiler check against triqs
Wentzell Mar 17, 2020
f762bef
Revert "Enforce identical build and host dir to fix compiler check ag…
Wentzell Mar 17, 2020
b872148
trigger build
Wentzell Mar 18, 2020
a1ae32c
Add boost-cpp build time dependency
Wentzell Mar 18, 2020
5862c09
update version to 2.2.1
Wentzell Mar 18, 2020
740df76
add libblas to run-time reqs
Wentzell Mar 18, 2020
91ce8d3
Add libblas to host deps
Wentzell Mar 18, 2020
d9c3221
Add liblapack to run/host deps
Wentzell Mar 18, 2020
abd3f36
Add mpi4py as run time dep
Wentzell Mar 19, 2020
4c25940
Revert "Add mpi4py as run time dep"
Wentzell Mar 19, 2020
6dd4b1d
Fix MPI env in final import test, c.f. github.com/conda-forge/libnetc…
Wentzell Mar 19, 2020
3766fe0
Break environment vars in test commands into multiple lines
Wentzell Mar 19, 2020
eb887d9
Update recipes/triqs_cthyb/meta.yaml
Wentzell Mar 19, 2020
a380658
Update recipes/triqs_cthyb/meta.yaml
Wentzell Mar 19, 2020
a7f8748
Build for both openmpi and mpich
Wentzell Mar 19, 2020
0a593bc
Use SPDX license identifier
Wentzell Mar 19, 2020
ac36897
trigger build
Wentzell Mar 19, 2020
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22 changes: 22 additions & 0 deletions recipes/triqs_cthyb/build.sh
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#!/usr/bin/env bash

mkdir build
cd build

# Openmpi Specific environment setup - Cf. https://github.com/conda-forge/libnetcdf-feedstock/pull/80
export OMPI_MCA_btl=self,tcp
export OMPI_MCA_plm=isolated
export OMPI_MCA_rmaps_base_oversubscribe=yes
export OMPI_MCA_btl_vader_single_copy_mechanism=none
mpiexec="mpiexec --allow-run-as-root"

source $PREFIX/share/triqsvars.sh

cmake \
-DCMAKE_INSTALL_PREFIX=$PREFIX \
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-DCMAKE_BUILD_TYPE=Release \
..

make -j${CPU_COUNT} VERBOSE=1
CTEST_OUTPUT_ON_FAILURE=1 ctest
make install
3 changes: 3 additions & 0 deletions recipes/triqs_cthyb/conda_build_config.yaml
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mpi:
- mpich
- openmpi
58 changes: 58 additions & 0 deletions recipes/triqs_cthyb/meta.yaml
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{% set version = "2.2.1" %}

package:
name: triqs_cthyb
version: {{ version }}

source:
url: https://github.com/TRIQS/cthyb/releases/download/{{ version }}/cthyb-{{ version }}.tar.gz
sha256: de78b39a354c0e1344987c26403919c23611635ab3d75620aa01bd5b06431bdc

build:
number: 0
skip: True # [win or py>30]
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requirements:
build:
- cmake
- make
- {{ compiler('c') }}
- {{ compiler('cxx') }}
host:
- triqs {{ '.'.join(version.split('.')[:2]) }}
- boost-cpp
- nfft
- hdf5
- {{ mpi }}
- libblas
- liblapack
- python
run:
- {{ pin_compatible("triqs", max_pin="x.x") }}
- nfft
- hdf5
- {{ mpi }}
- libblas
- liblapack
- python

test:
commands:
- export OMPI_MCA_btl=self,tcp
- export OMPI_MCA_plm=isolated
- export OMPI_MCA_rmaps_base_oversubscribe=yes
- export OMPI_MCA_btl_vader_single_copy_mechanism=none
- export mpiexec="mpiexec --allow-run-as-root"
- python -c "import triqs_cthyb"

about:
home: https://triqs.github.io/cthyb
license: GPL-3.0-or-later
license_family: GPL
license_file: LICENSE.txt
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summary: 'A fast and generic hybridization-expansion impurity solver'

extra:
recipe-maintainers:
- wentzell
- pgunn