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Releases: marvel-nccr/ansible-role-siesta

v2.2.1

25 Mar 07:12
771ad5b
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Add `version` to `siesta_executables`

v2.2.0

07 Dec 05:21
4a0e7de
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🧪 TESTS: Enable them and fix (#16)

v2.1.0

06 Dec 15:59
de431b1
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👌 IMPROVE: add `siesta_build_cpus` (#14)

v2.0.0

05 Dec 00:35
1c2e130
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⬆️ UPDATE: Siesta MaX-1.1 (#12)

The updated role builds and deploys version 'MaX-1.1' of Siesta (with support for pseudopotentials in PSML format, and for Lua scripting, among other improvements).

- It installs the siesta executable, as well as several post-processing utilities, in `/usr/local/bin`. 
- Requisite domain-specific libraries (libpsml, xmlf90, libgridxc, flook) are in `/usr/local/lib`, and their module files in `/usr/local/include`.
- It uses `ldconf` to add to the shared-library search path.
- It installs files for several pseudopotential families in `/usr/local/share/siesta/psml-files`.
- For the interface with the AiiDA role, it defines the `siesta_executables` variable.