diff options
| 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 | c79c4cb7ec3a3cecf04c75d10e1d92540f728be2 (patch) | |
| tree | b2fe3ed9775b44ded079883750eb8f109ed64271 /gnu | |
| parent | df2943cf16578bd5245e984504e8ab512f486230 (diff) | |
gnu: Add fortran-simple-dftd3.
* gnu/packages/fortran-xyz.scm (fortran-simple-dftd3): New variable.
Change-Id: I9d2bbbc7fc63725c9da0f120599a08cc4a7163c1
Signed-off-by: Sharlatan Hellseher <sharlatanus@gmail.com>
Diffstat (limited to 'gnu')
| -rw-r--r-- | gnu/packages/fortran-xyz.scm | 39 |
1 files changed, 39 insertions, 0 deletions
diff --git a/gnu/packages/fortran-xyz.scm b/gnu/packages/fortran-xyz.scm index c7d308e89cb..ffbdae08ea5 100644 --- a/gnu/packages/fortran-xyz.scm +++ b/gnu/packages/fortran-xyz.scm @@ -24,6 +24,7 @@ #:use-module (guix packages) #:use-module (gnu packages fortran-check) #:use-module (gnu packages gcc) + #:use-module (gnu packages libffi) #:use-module (gnu packages pkg-config) #:use-module (gnu packages python)) @@ -94,6 +95,44 @@ geometry file formats.") used for testing.") (license license:asl2.0))) +(define-public fortran-simple-dftd3 + (package + (name "fortran-simple-dftd3") + (version "1.2.1") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/dftd3/simple-dftd3") + (commit (string-append "v" version)))) + (file-name (git-file-name name version)) + (sha256 + (base32 "0aygmnax3vwz2x3ad7syksfjca4zc85nyslsibs0wg8wqfsmr33k")))) + (build-system meson-build-system) + (arguments + (list + #:configure-flags + #~(list + "-Dpython=true" + (string-append "-Dfortran_link_args=-Wl,-rpath=" + #$output "/lib")))) + (native-inputs + (list gfortran + pkg-config + python-minimal + python-cffi)) + (inputs + (list fortran-mctc-lib + fortran-mstore + fortran-toml-f)) + (home-page "https://github.com/dftd3/simple-dftd3") + (synopsis "Implementation of the DFT-D3 dispersion correction") + (description + "This library provides an implementation of the @url{DFT-D3, +https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3/} dispersion +correction.") + (license (list license:lgpl3+ license:gpl3+)))) + (define-public fortran-toml-f (package (name "fortran-toml-f") |