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Dear all, |
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after the removal of eselect-alternatives, and all the corresponding |
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reorganisation of linear algebra libraries in the science overlay I have serious |
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problems compiling programs that I use. |
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I'm afraid I may not be entitled to your help and advice since I dropped from |
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contributing to the overlay. I used to maintain the sci-physics/abinit ebuild, |
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and few others I had added over time, but after one particularly long pause in |
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my updating those ebuilds I found that I had lost access to the overlay. I have |
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a vague impression that there were some changes in the ways the overlay is |
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managed and contributions submitted but I have not yet even actually tried to |
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find the relevant documentation, and study it. Besides I was reluctant to ask |
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for the access to contributing until I had solved my problems with the abinit |
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ebuild that I haven't solved yet, so I've kept updating my handful of ebuilds |
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that I more or less use in my personal overlay only. And now, after the recent |
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changes in the overlay, they're broken completely — even my updated versions, |
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let alone those I left in the overlay, unless somebody took over maintaining |
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them —, and I'm at a loss how to repair them. |
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Currently I use in my work mainly sci-chemistry/nwchem, now at the 7.0.0 |
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version. It uses blas and lapack, and prefers compilation with 64 bit integers |
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(ILP64) data model, although an utility to convert it for LP64 model with 32 bit |
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integers is provided. I'm attaching my ebuild that I've finally used to install |
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and start using the new NWChem version. I'm also adding all the patches the |
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ebuild references in case you wanted to test the ebuild. I'm affraid the way I |
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made it use the ILP64 version of sci-libs/openblas-0.3.10 is rather ugly, and |
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some more elegant, more general, more systematic way should be available. Is |
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there anything like that? Does anybody at least plan to introduce anything like |
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that? Is there any documentation I should read that would guide me in updating |
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my ebuilds in line with the recent overlay development, and possibly to try and |
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contribute them to the overlay? |
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All the best |
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Honza Macháček |
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