Fabien Bruneval
ad0b70a64a
MOLGW package: fix dependence to threaded MKL (#39028)
* molgw package.py
* molgw package.py almost ready
* bug fix in molgw package.py
* MOLGW v3.2
* black pass
* duplicated line eliminated
* remove FIXME in the header
* add me as a maintainer
* fix previous commit
* sort the imports in the order spack wants
* chop the too-long lines
* many fixes
- variants before dependences
- eliminate useless build and install stages
- no openmp with intel-mkl was broken
* after blackization
* cleaning
* Update var/spack/repos/builtin/packages/molgw/package.py
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
* Update var/spack/repos/builtin/packages/molgw/package.py
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
* Update var/spack/repos/builtin/packages/molgw/package.py
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
* Update var/spack/repos/builtin/packages/molgw/package.py
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
* Update var/spack/repos/builtin/packages/molgw/package.py
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
* use threaded mkl when openmp is triggered
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Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>