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tomswinburne
2021-06-29 10:48:19 +02:00
parent 7b87b5c80b
commit 5e3fe19c9f
2 changed files with 7 additions and 10 deletions
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11
python/lammps/core.py
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@ -123,17 +123,14 @@ class lammps(object):
lib_ext = ".dll" lib_ext = ".dll"
modpath = winpath modpath = winpath
else: else:
"""
import platform import platform
if platform.system() == "Darwin": # this flags an error on MacOSX if platform.system() == "Darwin":
lib_ext = ".dylib" lib_ext = ".dylib"
elif platform.system() == "Windows": elif platform.system() == "Windows":
lib_ext = ".dll" lib_ext = ".dll"
else: else:
lib_ext = ".so" lib_ext = ".so"
"""
lib_ext = ".so"
if not self.lib: if not self.lib:
if name: if name:
libpath = join(modpath,"liblammps_%s" % name + lib_ext) libpath = join(modpath,"liblammps_%s" % name + lib_ext)
@ -1573,8 +1570,8 @@ class lammps(object):
"""Return a string with detailed information about any devices that are """Return a string with detailed information about any devices that are
usable by the GPU package. usable by the GPU package.
This is a wrapper around the :cpp:func:`lammps_get_gpu_device_info` This is a wrapper around the :cpp:func:`lammps_get_gpu_device_info`
function of the C-library interface. function of the C-library interface.
:return: GPU device info string :return: GPU device info string
:rtype: string :rtype: string

6
src/MAKE/Makefile.mpi
View File

@ -7,12 +7,12 @@ SHELL = /bin/sh
# specify flags and libraries needed for your compiler # specify flags and libraries needed for your compiler
CC = mpicxx CC = mpicxx
CCFLAGS = -g -O3 -std=c++11 CCFLAGS = -g -O3
SHFLAGS = -fPIC SHFLAGS = -fPIC
DEPFLAGS = -M DEPFLAGS = -M
LINK = mpicxx LINK = mpicxx
LINKFLAGS = -g -O3 -std=c++11 LINKFLAGS = -g -O3
LIB = LIB =
SIZE = size SIZE = size
@ -28,7 +28,7 @@ SHLIBFLAGS = -shared -rdynamic
# LAMMPS ifdef settings # LAMMPS ifdef settings
# see possible settings in Section 3.5 of the manual # see possible settings in Section 3.5 of the manual
LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -DLAMMPS_EXCEPTIONS LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 # -DLAMMPS_CXX98
# MPI library # MPI library
# see discussion in Section 3.4 of the manual # see discussion in Section 3.4 of the manual