gnu: Add lammps-serial.

* gnu/packages/bioinformatics.scm (lammps-serial): New variable.

Change-Id: Ifd189a28f423e43ddda8654f758486737eef4a3c
This commit is contained in:
Ricardo Wurmus 2023-12-25 23:21:07 +01:00
parent 95879674c2
commit a4a14ab6d7
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@ -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")