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Add crest program to package index #275

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Merged
merged 1 commit into from
Jun 11, 2021
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awvwgk
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@awvwgk awvwgk commented Jun 8, 2021

This patch adds the conformer-rotamer ensemble search tool (crest) to the package index.

  • OpenMP based task scheduler and automation tool for exploring potential energy surfaces written in Fortran
  • the package supports meson, CMake and plain make as build systems
  • compiles with Intel Fortran and GFortran, requires MKL
  • documentation can be found here: https://xtb-docs.readthedocs.io/en/latest/crest.html

cc @pprcht

@awvwgk awvwgk added the packages Related to the package index label Jun 8, 2021
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Looks good to me!

@awvwgk awvwgk merged commit 8d338c3 into fortran-lang:master Jun 11, 2021
@awvwgk awvwgk deleted the package-crest branch June 11, 2021 14:24
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