GNU bug report logs - #40691
[PATCH 0/1] gnu: Add gromacs.

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Message #41 received at 40691 <at> debbugs.gnu.org (full text, mbox):

From: Vincent Legoll <vincent.legoll <at> gmail.com>
To: 40691 <at> debbugs.gnu.org
Cc: Vincent Legoll <vincent.legoll <at> gmail.com>
Subject: [PATCH 2/3] gnu: Add lmfit.
Date: Sat,  2 May 2020 15:48:14 +0200

* gnu/packages/bioinformatics.scm (lmfit): New variable.
---
 gnu/packages/bioinformatics.scm | 24 ++++++++++++++++++++++++
 1 file changed, 24 insertions(+)

diff --git a/gnu/packages/bioinformatics.scm b/gnu/packages/bioinformatics.scm
index f90401a560..02eae3b589 100644
--- a/gnu/packages/bioinformatics.scm
+++ b/gnu/packages/bioinformatics.scm
@@ -821,6 +821,30 @@ optionally velocities and the H-matrix.  Coordinates and velocities are
 stored with user-specified precision.")
     (license license:bsd-3)))
 
+(define-public lmfit
+  (package
+    (name "lmfit")
+    (version "8.2.2")
+    (source (origin
+              (method git-fetch)
+              (uri (git-reference
+                    (url "https://jugit.fz-juelich.de/mlz/lmfit.git")
+                    (commit (string-append "v" version))))
+              (file-name (git-file-name name version))
+              (sha256
+               (base32
+                "00bch77a6qgnw6vzsjn2a42n8n683ih3xm0wpr454jxa15hw78vf"))))
+    (build-system cmake-build-system)
+    (native-inputs
+     `(("perl" ,perl)))                   ; for pod2man
+    (home-page "https://jugit.fz-juelich.de/mlz/lmfit")
+    (synopsis "C library for Levenberg-Marquardt minimization and least-squares
+fitting.")
+    (description "lmfit is a C library for Levenberg-Marquardt least-squares
+minimization and curve fitting.  It is mature code, based on decades-old
+algorithms from the FORTRAN library MINPACK.")
+    (license license:bsd-2)))
+
 (define-public python-pybedtools
   (package
     (name "python-pybedtools")
-- 
2.26.0

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