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| author | David Elsing <david.elsing@posteo.net> | 2025-06-25 01:42:02 +0200 |
|---|---|---|
| committer | Sharlatan Hellseher <sharlatanus@gmail.com> | 2025-07-08 12:17:14 +0100 |
| commit | df2943cf16578bd5245e984504e8ab512f486230 (patch) | |
| tree | 2dacbac625ce4f04e26baaa250b47bb2ee22fef5 | |
| parent | 8f9ce53318c718b10c66ce1ebf9ae17f64872b1c (diff) | |
| download | guix-df2943cf16578bd5245e984504e8ab512f486230.tar guix-df2943cf16578bd5245e984504e8ab512f486230.tar.gz | |
gnu: Add fortran-mstore.
* gnu/packages/fortran-xyz.scm (fortran-mstore): New variable.
Change-Id: I8ba80b6fb13337abf05c37a2e39a66dbbcc710ee
Modified-by: Sharlatan Hellseher <sharlatanus@gmail.com>
Signed-off-by: Sharlatan Hellseher <sharlatanus@gmail.com>
| -rw-r--r-- | gnu/packages/fortran-xyz.scm | 32 |
1 files changed, 32 insertions, 0 deletions
diff --git a/gnu/packages/fortran-xyz.scm b/gnu/packages/fortran-xyz.scm index b29d1e5ce2..c7d308e89c 100644 --- a/gnu/packages/fortran-xyz.scm +++ b/gnu/packages/fortran-xyz.scm @@ -62,6 +62,38 @@ library for operating on molecular structures and reading and writing common geometry file formats.") (license license:asl2.0))) +(define-public fortran-mstore + (package + (name "fortran-mstore") + (version "0.3.0") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/grimme-lab/mstore") + (commit (string-append "v" version)))) + (file-name (git-file-name name version)) + (sha256 + (base32 "0g3jxc96hd7r57kczi5p28g2xm345ad1hk9lm5v6wlkmnrvg3ynd")))) + (build-system meson-build-system) + (arguments + (list + #:configure-flags + #~(list (string-append "-Dfortran_link_args=-Wl,-rpath=" + #$output "/lib")))) + (native-inputs + (list gfortran + pkg-config + python-minimal)) + (inputs + (list fortran-mctc-lib)) + (home-page "https://github.com/grimme-lab/mstore") + (synopsis "Molecular structure data for testing") + (description + "This package contains a Fortran interface to obtain molecular geometries +used for testing.") + (license license:asl2.0))) + (define-public fortran-toml-f (package (name "fortran-toml-f") |