diff --git a/gnu/packages/fortran-xyz.scm b/gnu/packages/fortran-xyz.scm index f95385d915..b29d1e5ce2 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")