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[bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs.
From: |
Liliana Marie Prikler |
Subject: |
[bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs. |
Date: |
Sun, 09 Oct 2022 13:56:14 +0200 |
User-agent: |
Evolution 3.46.0 |
Am Freitag, dem 07.10.2022 um 15:21 +0000 schrieb David Elsing:
> * gnu/packages/chemistry.scm (coordgenlibs): New variable.
> ---
> gnu/packages/chemistry.scm | 27 +++++++++++++++++++++++++++
> 1 file changed, 27 insertions(+)
>
> diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
> index 6eb1e4a694..1510cbab41 100644
> --- a/gnu/packages/chemistry.scm
> +++ b/gnu/packages/chemistry.scm
> @@ -791,3 +791,30 @@ (define-public maeparser
> (synopsis "Maestro file parser")
> (description "maeparser is a parser for Schrodinger Maestro
> files.")
> (license license:expat)))
> +
> +(define-public coordgenlibs
> + (package
> + (name "coordgenlibs")
> + (version "3.0.1")
> + (source (origin
> + (method git-fetch)
> + (uri (git-reference
> + (url
> "https://github.com/schrodinger/coordgenlibs/")
> + (commit (string-append "v" version))))
> + (file-name (git-file-name name version))
> + (sha256
> + (base32
> +
> "0d09x3v38i9y184bml020bq7xizdrdwng38qmdxlplzfhqkjdidv"))))
> + (build-system cmake-build-system)
> + (native-inputs (list boost))
> + (inputs (list maeparser))
> + (arguments
> + (list
> + #:configure-flags
> + #~(list "-DCOORDGEN_RIGOROUS_BUILD=OFF"
> + "-DCOORDGEN_USE_MAEPARSER=ON")))
> + (home-page "https://github.com/schrodinger/coordgenlibs/")
> + (synopsis "2D coordinate generation")
> + (description "@code{coordgenlibs} contains algorithms to
> generate 2D
> +coordinates. It has an emphasis on quality rather than speed.")
It emphasises quality over speed. That being said, is it that hard to
generate points? What's the full context here?
> + (license license:bsd-3)))
- [bug#58261] [PATCH v3 13/15] gnu: Add avalon-toolkit., (continued)
- [bug#58261] [PATCH v3 13/15] gnu: Add avalon-toolkit., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 15/15] gnu: Add rdkit., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 08/15] gnu: Add gemmi., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 11/15] gnu: Add coordgenlibs., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 10/15] gnu: Add maeparser., David Elsing, 2022/10/13
- [bug#58261] [PATCH v2 01/13] gnu: Add fast-float., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 05/13] gnu: Add optionparser., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 08/13] gnu: Add maeparser., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs.,
Liliana Marie Prikler <=
- [bug#58261] [PATCH v2 11/13] gnu: Add avalontoolkit., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 13/13] gnu: Add rdkit., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 02/13] gnu: Add pocketfft., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 03/13] gnu: Add sajson., David Elsing, 2022/10/07