Subject: [PATCH 1/3] gnu: Add tng.

From: Vincent Legoll <[email-masked]>
Date: Sat, 2 May 2020 18:43:23 +0200

* gnu/packages/bioinformatics.scm (tng): New variable.
---
 gnu/packages/bioinformatics.scm | 36 +++++++++++++++++++++++++++++++++
 1 file changed, 36 insertions(+)

diff --git a/gnu/packages/bioinformatics.scm b/gnu/packages/bioinformatics.scm
index 65b44568e0..f90401a560 100644
--- a/gnu/packages/bioinformatics.scm
+++ b/gnu/packages/bioinformatics.scm
@@ -17,6 +17,7 @@
 ;;; Copyright © 2019 Brett Gilio <[email-masked]>
 ;;; Copyright © 2020 Björn Höfling <[email-masked]>
 ;;; Copyright © 2020 Jakub Kądziołka <[email-masked]>
+;;; Copyright © 2020 Vincent Legoll <[email-masked]>
 ;;;
 ;;; This file is part of GNU Guix.
 ;;;
@@ -785,6 +786,41 @@ input/output delimiter.  When the new functionality is not used, bioawk is
 intended to behave exactly the same as the original BWK awk.")
     (license license:x11)))
 
+(define-public tng
+  (package
+    (name "tng")
+    (version "1.8.2")
+    (source (origin
+              (method git-fetch)
+              (uri (git-reference
+                    (url "https://github.com/gromacs/tng.git")
+                    (commit (string-append "v" version))))
+              (file-name (git-file-name name version))
+              (sha256
+               (base32
+                "1apf2n8nb34z09xarj7k4jgriq283l769sakjmj5aalpbilvai4q"))))
+    (build-system cmake-build-system)
+    (inputs
+     `(("zlib" ,zlib)))
+    (arguments
+     `(#:phases
+       (modify-phases %standard-phases
+         (add-after 'unpack 'remove-bundled-zlib
+           (lambda _
+             (delete-file-recursively "external")
+             #t))
+         (replace 'check
+           (lambda _
+             (invoke "../build/bin/tests/tng_testing")
+             #t)))))
+    (home-page "https://github.com/gromacs/tng")
+    (synopsis "Trajectory Next Generation binary format manipulation library")
+    (description "TRAJNG (Trajectory next generation) is a program library for
+handling molecular dynamics (MD) trajectories.  It can store coordinates, and
+optionally velocities and the H-matrix.  Coordinates and velocities are
+stored with user-specified precision.")
+    (license license:bsd-3)))
+
 (define-public python-pybedtools
   (package
     (name "python-pybedtools")
-- 
2.26.0