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sync Make.py and fix addforce change with GHub

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
2016-09-28 22:36:54 +00:00
parent 189825489c
commit 78a22be93f
2 changed files with 19 additions and 20 deletions
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28
src/Make.py
View File

@ -85,7 +85,8 @@ def switch2str(switches,switch_order):
def compile_check(compiler,ccflags,warn):
open("tmpauto.cpp",'w').write("int main(int, char **) {}\n")
tmp = "%s %s -c tmpauto.cpp" % (compiler,ccflags)
txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
try: txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
except subprocess.CalledProcessError as e: txt = e.output
flag = 1
if txt or not os.path.isfile("tmpauto.o"):
flag = 0
@ -104,7 +105,8 @@ def compile_check(compiler,ccflags,warn):
def link_check(linker,linkflags,libs,warn):
open("tmpauto.cpp",'w').write("int main(int, char **) {}\n")
tmp = "%s %s -o tmpauto tmpauto.cpp %s" % (linker,linkflags,libs)
txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
try: txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
except subprocess.CalledProcessError as e: txt = e.output
flag = 1
if txt or not os.path.isfile("tmpauto"):
flag = 0
@ -588,7 +590,7 @@ class Actions(object):
else:
print(tmp)
try: subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/lmp_auto" % dir.src):
error('Unsuccessful "make auto"')
@ -1066,7 +1068,7 @@ class ATC(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libatc.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1117,7 +1119,7 @@ class AWPMD(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libawpmd.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1168,7 +1170,7 @@ class COLVARS(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libcolvars.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1225,7 +1227,7 @@ class CUDA(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/liblammpscuda.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1315,7 +1317,7 @@ class GPU(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libgpu.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1365,7 +1367,7 @@ class H5MD(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libch5md.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1416,7 +1418,7 @@ class MEAM(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libmeam.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1467,7 +1469,7 @@ class POEMS(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libpoems.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1553,7 +1555,7 @@ class QMMM(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libqmmm.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):
@ -1604,7 +1606,7 @@ class REAX(object):
if verbose: subprocess.call(txt,shell=True)
else:
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
except Exception as e: print(e.output)
except subprocess.CalledProcessError as e: print(e.output)
if not os.path.isfile("%s/libreax.a" % libdir) or \
not os.path.isfile("%s/Makefile.lammps" % libdir):

11
src/fix_addforce.cpp
View File

@ -203,13 +203,10 @@ void FixAddForce::init()
update->whichflag == 2 && estyle == NONE)
error->all(FLERR,"Must use variable energy with fix addforce");
int max_respa = 0;
if (strstr(update->integrate_style,"respa"))
max_respa = ((Respa *) update->integrate)->nlevels-1;
if (respa_level >= 0)
ilevel_respa = MIN(respa_level,max_respa);
if (strstr(update->integrate_style,"respa")) {
ilevel_respa = ((Respa *) update->integrate)->nlevels-1;
if (respa_level >= 0) ilevel_respa = MIN(respa_level,ilevel_respa);
}
}
/* ---------------------------------------------------------------------- */