Code

⬆️ UPDATE: Siesta MaX-1.1#12

Code

Merged

chrisjsewell merged 38 commits intomarvel-nccr:mastermarvel-nccr/ansible-role-siesta:masterfrom siesta-project:mastersiesta-project/ansible-role-siesta:masterCopy head branch name to clipboardDec 4, 2020

+972-451

Commits

Commits on Oct 23, 2020

• Added plstm to Utils

  

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• Remove duplicate instructions for utilities. Add fftw3

  

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• Add support for xmlf90 and libpsml

  

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• Added support for libgridxc

  

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• Update for MaX interim version

  

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Commits on Oct 25, 2020

• Add flook

  

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• Use ldconfig. Wrap flook role

  

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• Use psml pseudos. Add Lua test

  

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Commits on Oct 26, 2020

• Add libxc support. Enable tests in defaults/main.yml

  

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• Add more utilities

  

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Commits on Oct 27, 2020

• Add psml pseudopotentials

  

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• First stage of linting

  

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• Second pass of linting

  

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• Merge branch 'update-max-1.1'

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• Fix idempotency of libpsml and psml-files

  

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Commits on Oct 28, 2020

• Disable libxc for Ubuntu16. Add tests for Ubuntu20

  

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Commits on Oct 29, 2020

• Fix blacs and make issues for ubuntu20

  

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• Improve test logic

  

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• Remove blacs variable from main vars file

  

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• Merge branch 'ub20'

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Commits on Oct 30, 2020

• Update logic in siesta tests

  

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Commits on Nov 2, 2020

• Some documentation and cosmetics. Fix 'siesta_executables'

  

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Commits on Nov 28, 2020

• Cosmetic fixes after review

  

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• Add focal to meta/main.yml

  

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• Fix pre-commit issues

  

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Commits on Nov 29, 2020

• More comments in README.md regarding versions supported

  

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Commits on Dec 2, 2020

• First version of libxc sub-role

  

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• libxc logic now works

  

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• Disable shared libs for libgridxc if using current libxc role

  

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• Merge branch 'add-libxc'

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• Fix tag for 4.1 version

  

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• Install Max-1.2.0 by default. Update README.md

  

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• Fix molecule files to deal with libxc role

  

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Commits on Dec 4, 2020

• Remove libxc test line from molecule.yml

  

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• Move siesta_libxc_root var to defaults/main.yml

  

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• Remove 'minor_version' variables

  

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• Use tarballs from Gitlab tags for the libraries

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• Merge branch 'reconf' into dec4-fix

  

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