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| author | David Elsing <david.elsing@posteo.net> | 2025-06-03 22:56:54 +0200 |
|---|---|---|
| committer | Sharlatan Hellseher <sharlatanus@gmail.com> | 2025-07-08 12:17:14 +0100 |
| commit | 8f9ce53318c718b10c66ce1ebf9ae17f64872b1c (patch) | |
| tree | 3662eb0de1c71a65d133d278dbb1b429a366fe1b /gnu | |
| parent | bc16afca293e0d52354b795b198e03ac958c78ce (diff) | |
gnu: Add fortran-mctc-lib.
* gnu/packages/fortran-xyz.scm (fortran-mctc-lib): New variable.
Change-Id: I94f6461f2ee90cb1fb35aef72c7eb11f86cde6b1
Modified-by: Sharlatan Hellseher <sharlatanus@gmail.com>
Signed-off-by: Sharlatan Hellseher <sharlatanus@gmail.com>
Diffstat (limited to 'gnu')
| -rw-r--r-- | gnu/packages/fortran-xyz.scm | 35 |
1 files changed, 34 insertions, 1 deletions
diff --git a/gnu/packages/fortran-xyz.scm b/gnu/packages/fortran-xyz.scm index f95385d915a..b29d1e5ce26 100644 --- a/gnu/packages/fortran-xyz.scm +++ b/gnu/packages/fortran-xyz.scm @@ -19,16 +19,49 @@ (define-module (gnu packages fortran-xyz) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix build-system meson) + #:use-module (guix gexp) #:use-module (guix git-download) #:use-module (guix packages) #:use-module (gnu packages fortran-check) #:use-module (gnu packages gcc) - #:use-module (gnu packages pkg-config)) + #:use-module (gnu packages pkg-config) + #:use-module (gnu packages python)) ;;; Please: Try to add new module packages in alphabetic order. ;;; ;;; Code: +(define-public fortran-mctc-lib + (package + (name "fortran-mctc-lib") + (version "0.3.2") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/grimme-lab/mctc-lib") + (commit (string-append "v" version)))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "1gabdxllx2pcw1mbv4gw9zpn6817ikz9ql8xs9w86wswd6f0m5kl")))) + (build-system meson-build-system) + (arguments + (list + #:configure-flags + #~(list (string-append "-Dfortran_link_args=-Wl,-rpath=" + #$output "/lib")))) + (native-inputs + (list gfortran + python-minimal)) + (home-page "https://github.com/grimme-lab/mctc-lib") + (synopsis "Fortran library for working with molecular structure data") + (description + "@code{mctc-lib} (modular computation tool chain library) is a Fortran +library for operating on molecular structures and reading and writing common +geometry file formats.") + (license license:asl2.0))) + (define-public fortran-toml-f (package (name "fortran-toml-f") |