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author | Ricardo Wurmus <rekado@elephly.net> | 2023-12-25 23:21:07 +0100 |
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committer | Ricardo Wurmus <rekado@elephly.net> | 2023-12-25 23:21:07 +0100 |
commit | a4a14ab6d79f6f1f926a82dd50db4655232042b7 (patch) | |
tree | 4d960eb83b4dda6e62c7a6a22cbfba604a3e253f /gnu/packages | |
parent | 95879674c2312432f778383c2979fd0c9c098721 (diff) |
gnu: Add lammps-serial.
* gnu/packages/bioinformatics.scm (lammps-serial): New variable.
Change-Id: Ifd189a28f423e43ddda8654f758486737eef4a3c
Diffstat (limited to 'gnu/packages')
-rw-r--r-- | gnu/packages/bioinformatics.scm | 31 |
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") |