Activity for Simppa Akaslompolo
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Simppa Akaslompolo posted a comment on discussion Elk Developers
Seems like "acastanedam" has become active. They started another PR: https://github.com/spack/spack/pull/48583
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Hi! Thanks for responding! The idea of spack is to provide all the dependencies in addition to automatically compiling the target software. You can request specific versions and variants of software. In case of ELK, (from spack info elk) the variants are as follow: Variants: build_system [makefile] makefile Build systems supported by the package fft [internal] fftw, internal, mkl Build with custom FFT library libxc [true] false, true Link to Libxc functional library linalg [internal] blis, generic,...
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Hi! Thanks for responding! The idea of spack is to provide all the dependencies in addition to automatically compiling the target software. You can request specific versions and variants of software. In case of ELK, (from spack info elk) the variants are as follow: Variants: build_system [makefile] makefile Build systems supported by the package fft [internal] fftw, internal, mkl Build with custom FFT library libxc [true] false, true Link to Libxc functional library linalg [internal] blis, generic,...
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Other potential people: (spack blame elk) - Auriane R. - Harmen Stoppels - Aiden Grossman - Massimiliano Culpo - Robert Cohn - acastanedam - permeakra - Adam J. Stewart
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Someone needs to review my PR in spack. https://github.com/spack/spack/pull/48456 @jkdewhurst, could you, please?
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The attached patch to https://github.com/spack/spack/tree/v0.20.1 enabled me to compile elk with: spack install elk@10.2.4 linalg=generic fft=fftw ^libxc@6.1.0.
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One thing that took quite a while to figure out is, that at least with spack: Make tries to compile modxcifc.f90 before libxcifc.f90, and this doesn't work out in fortran. Should there not be some explicit dependency in the Makefile for this?
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Hi! I am not an elk user, but I was asked for help in installing elk. Spack is a tool that automatically installs (compiles etc.) software, such as elk to HPC and workstations. It would be great if some elk developer would take care of the spack package for elk: https://packages.spack.io/package.html?name=elk The package is not currently maintained. Compiling ELK probably is not that difficult, but seems there are some quirks. I'm right now seeing if I manage to get 10.2.4 to install, but .... libxc...
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