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Merge branch 'python-script-portability' into collected-post-stable-patches

This commit is contained in:
Axel Kohlmeyer 2018-12-03 19:14:47 -05:00
parent db2c8887cf d603d084c4
commit 4adbacf8e5
2 changed files with 237 additions and 3 deletions
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6
lib/colvars/Install.py
View File

@ -122,13 +122,13 @@ fp.close()
n_cpus = get_cpus()
print("Building lib%s.a ..." % lib)
cmd = ["make -f Makefile.auto clearn; make -f Makefile.auto -j%d" % n_cpus]
cmd = ["make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus]
try:
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True);
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True);
print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
sys.exit(1)
sys.exit(1)
if os.path.exists("lib%s.a" % lib): print("Build was successful")
else: error("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))

234
lib/colvars/Makefile.deps
View File

@ -1 +1,235 @@
$(COLVARS_OBJ_DIR)colvaratoms.o: colvaratoms.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
colvarparse.h colvaratoms.h colvardeps.h
$(COLVARS_OBJ_DIR)colvarbias_abf.o: colvarbias_abf.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvar.h \
colvarparse.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_abf.h colvarbias.h colvargrid.h colvar_UIestimator.h
$(COLVARS_OBJ_DIR)colvarbias_alb.o: colvarbias_alb.cpp colvarmodule.h \
colvars_version.h colvarbias.h colvar.h colvarvalue.h colvartypes.h \
colvarparse.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_alb.h
$(COLVARS_OBJ_DIR)colvarbias.o: colvarbias.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvarbias.h \
colvar.h colvarparse.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvargrid.h
$(COLVARS_OBJ_DIR)colvarbias_histogram.o: colvarbias_histogram.cpp \
colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
colvarvalue.h colvar.h colvarparse.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_histogram.h colvarbias.h colvargrid.h
$(COLVARS_OBJ_DIR)colvarbias_meta.o: colvarbias_meta.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvar.h \
colvarparse.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_meta.h colvarbias.h colvargrid.h
$(COLVARS_OBJ_DIR)colvarbias_restraint.o: colvarbias_restraint.cpp \
colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
colvarvalue.h colvarbias_restraint.h colvarbias.h colvar.h colvarparse.h \
colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h
$(COLVARS_OBJ_DIR)colvarcomp_angles.o: colvarcomp_angles.cpp \
colvarmodule.h colvars_version.h colvar.h colvarvalue.h colvartypes.h \
colvarparse.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h
$(COLVARS_OBJ_DIR)colvarcomp_coordnums.o: colvarcomp_coordnums.cpp \
colvarmodule.h colvars_version.h colvarparse.h colvarvalue.h \
colvartypes.h colvaratoms.h colvarproxy.h colvardeps.h colvar.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h
$(COLVARS_OBJ_DIR)colvarcomp.o: colvarcomp.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvar.h colvarparse.h \
colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h
$(COLVARS_OBJ_DIR)colvarcomp_distances.o: colvarcomp_distances.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h
$(COLVARS_OBJ_DIR)colvarcomp_protein.o: colvarcomp_protein.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h
$(COLVARS_OBJ_DIR)colvarcomp_rotations.o: colvarcomp_rotations.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h
$(COLVARS_OBJ_DIR)colvar.o: colvar.cpp colvarmodule.h colvars_version.h \
colvarvalue.h colvartypes.h colvarparse.h colvar.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarscript.h colvarbias.h
$(COLVARS_OBJ_DIR)colvardeps.o: colvardeps.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvardeps.h \
colvarparse.h
$(COLVARS_OBJ_DIR)colvargrid.o: colvargrid.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparse.h colvar.h \
colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvargrid.h
$(COLVARS_OBJ_DIR)colvarmodule.o: colvarmodule.cpp colvarmodule.h \
colvars_version.h colvarparse.h colvarvalue.h colvartypes.h \
colvarproxy.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias.h colvarbias_abf.h colvargrid.h colvar_UIestimator.h \
colvarbias_alb.h colvarbias_histogram.h colvarbias_meta.h \
colvarbias_restraint.h colvarscript.h colvaratoms.h colvarcomp.h
$(COLVARS_OBJ_DIR)colvarparse.o: colvarparse.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparse.h
$(COLVARS_OBJ_DIR)colvarproxy.o: colvarproxy.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
colvarscript.h colvarbias.h colvar.h colvarparse.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvaratoms.h
$(COLVARS_OBJ_DIR)colvarscript.o: colvarscript.cpp colvarscript.h \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarbias.h colvar.h colvarparse.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarproxy.h
$(COLVARS_OBJ_DIR)colvartypes.o: colvartypes.cpp colvarmodule.h \
colvars_version.h colvartypes.h colvarparse.h colvarvalue.h
$(COLVARS_OBJ_DIR)colvarvalue.o: colvarvalue.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h