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authorRicardo Wurmus <rekado@elephly.net>2023-12-25 23:21:07 +0100
committerRicardo Wurmus <rekado@elephly.net>2023-12-25 23:21:07 +0100
commita4a14ab6d79f6f1f926a82dd50db4655232042b7 (patch)
tree4d960eb83b4dda6e62c7a6a22cbfba604a3e253f /gnu/packages/bioinformatics.scm
parent95879674c2312432f778383c2979fd0c9c098721 (diff)
gnu: Add lammps-serial.
* gnu/packages/bioinformatics.scm (lammps-serial): New variable. Change-Id: Ifd189a28f423e43ddda8654f758486737eef4a3c
Diffstat (limited to 'gnu/packages/bioinformatics.scm')
-rw-r--r--gnu/packages/bioinformatics.scm31
1 files changed, 31 insertions, 0 deletions
diff --git a/gnu/packages/bioinformatics.scm b/gnu/packages/bioinformatics.scm
index 01718426ee..de37d19264 100644
--- a/gnu/packages/bioinformatics.scm
+++ b/gnu/packages/bioinformatics.scm
@@ -4358,6 +4358,37 @@ atoms or, more generically, as a parallel particle simulator at the atomic,
meso, or continuum scale.")
(license license:gpl2+))))
+(define-public lammps-serial
+ (package
+ (inherit lammps)
+ (name "lammps-serial")
+ (arguments
+ (substitute-keyword-arguments (package-arguments lammps)
+ ((#:make-flags flags)
+ '(list "CC=gcc" "serial"
+ "LMP_INC=-DLAMMPS_GZIP \
+-DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_FFMPEG -DLAMMPS_MEMALIGN=64"
+ "LIB=-gz -ljpeg -lpng -lavcodec"))
+ ((#:phases phases)
+ #~(modify-phases #$phases
+ (replace 'configure
+ (lambda _
+ (substitute* "MAKE/Makefile.serial"
+ (("SHELL =.*")
+ (string-append "SHELL=" (which "bash") "\n"))
+ (("cc ") "gcc "))
+ (substitute* "Makefile"
+ (("SHELL =.*")
+ (string-append "SHELL=" (which "bash") "\n")))))
+ (replace 'install
+ (lambda _
+ (let ((bin (string-append #$output "/bin")))
+ (mkdir-p bin)
+ (install-file "lmp_serial" bin))))))))
+ (inputs
+ (modify-inputs (package-inputs lammps)
+ (delete "openmpi")))))
+
(define-public libbigwig
(package
(name "libbigwig")