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SConstruct
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SConstruct
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import os, time, string, glob, numpy, sys
CacheDir(os.environ['HOME'] + '/.cache/scons')
compiler = 'clang++' # clang actually works, swap this line with the below to use it
compiler = 'g++'
if sys.platform == 'darwin':
compiler = 'clang++' # use clang on OS X
# First, we want to set up the flags
env = Environment(CPPPATH=['src', 'include', 'tests'], LIBS=['fftw3', 'popt'])
if compiler == 'g++':
env.MergeFlags('-Werror -std=c++11')
# The following is approximately equal to -Wall, but we use a additive
# set of statements, since the set of warnings encompased in -Wall
# sometimes changes in ways that cause incompatibilities.
env.MergeFlags('-Waddress -Warray-bounds -Wc++11-compat -Wchar-subscripts ' +
'-Wenum-compare -Wcomment -Wformat -Wmaybe-uninitialized -Wmissing-braces ' +
'-Wnonnull -Wparentheses -Wreorder -Wreturn-type ' +
'-Wsequence-point -Wsign-compare -Wstrict-aliasing -Wstrict-overflow=1 ' +
'-Wswitch -Wtrigraphs -Wuninitialized -Wunknown-pragmas -Wunused-function ' +
'-Wunused-label -Wunused-value -Wunused-variable')
env.MergeFlags('-O3') # add -g and possibly -fno-inline and
# -fsanitize=address and maybe -fsanitize=ubsan
# here to enable debugging
# The following flags enable gcc to eliminate unused code from the
# final executable. This reduces the size of the executable, and I
# hope it also means that executables are less likely to change when
# we add new code to deft that they do not use.
env.AppendUnique(LINKFLAGS=['-Wl,-gc-sections'],
CXXFLAGS=['-fdata-sections','-ffunction-sections'])
elif compiler == 'clang++':
env.Replace(CXX = compiler)
env.MergeFlags('-O3 -std=c++11') # I wish I could use -O4 but it crashes
# Configure git to run the test suite:
Alias('git configuration',
env.Command(target = '.git/hooks/commit-msg',
source = 'git/commit-msg',
action = Copy("$TARGET", "$SOURCE")))
Alias('git configuration',
env.Command(target = '.git/hooks/pre-commit',
source = 'git/pre-commit',
action = Copy("$TARGET", "$SOURCE")))
gitmaster = ['.git/refs/heads/master']
if not os.path.exists(gitmaster[0]):
gitmaster = []
Alias('git configuration',
env.Command(target = 'src/version-identifier.h',
source = ['src/generate-version-identifier.py']+gitmaster,
action = 'python3 $SOURCE $TARGET'))
Default('git configuration')
haskell = Environment(tools=['haskell'],
HSSEARCHPATH = ["src/haskell"],
HSPACKAGES = ["containers", "process", "HUnit"],
HSCFLAGS = ['-O2', '-Wall', '-Werror'])
# Now we define utility functions for the tests.
passed_tests = 0
failed_tests = 0
total_tests = 0
OKBLUE = '\033[94m'
OKGREEN = '\033[92m'
WARNING = '\033[93m'
FAIL = '\033[91m'
ENDC = '\033[0m'
def test_function(target, source, env):
global passed_tests, failed_tests
testfile = str(source[0])
logfile = str(target[0])
name = testfile[6:len(testfile)-5]
failfile = "tests/%s.failed" % name
time.sleep(1) # work around sporadic race condition with "Text file busy" error.
command = "%s 2>&1 > %s" % (testfile, failfile)
#print command
start = time.clock()
retval = os.system(command)
end = time.clock()
if retval == 0:
os.system("mv %s %s" % (failfile, logfile))
passed_tests += 1
print "%sPASS: %s (%g seconds)%s" % (OKGREEN, name, end - start, ENDC)
else:
failed_tests += 1
print "%sFAIL: %s (%g seconds)%s" % (FAIL, name, end - start, ENDC)
def check_function(target, source, env):
global passed_tests, failed_tests
run_tests = passed_tests + failed_tests
already_passed = total_tests - run_tests
already_string = ", %d tests already passed" % already_passed
passed_string = "%d tests passed, " % passed_tests
if passed_tests == 0: passed_string = ""
if already_passed == 0: already_string = ""
if run_tests == 0:
print "%sAll %d tests already passed%s" % (OKGREEN, total_tests, ENDC)
return 0
if failed_tests == 1:
print "%s%sone test failed%s%s" % ( passed_string, FAIL, ENDC, already_string )
return 1
if failed_tests != 0:
print "%s%s%d tests failed%s%s" % ( passed_string, FAIL, failed_tests, ENDC, already_string )
return 1
print "%sAll %d tests passed%s%s" % ( OKGREEN, passed_tests, already_string, ENDC )
return 0
check_runner = Builder(action = check_function)
env.Append(BUILDERS = {'Check': check_runner})
env.Check(target = 'check', source = 'monte-carlo')
env.Default('check')
def BuildTest(env, test, depends):
global total_tests
env.Program(target = 'tests/' + test + '.test',
source = ['tests/' + test + '.cpp']+depends)
testenv = env.Clone()
#testenv.CacheDir(None) # we probably should not cache test results (which could be semi-random), but do
test = testenv.Command(target = 'tests/' + test + '.log',
source = 'tests/' + test + '.test',
action = Action(test_function, '$SOURCE'))
total_tests += 1
Depends('check', test)
return test
AddMethod(Environment, BuildTest)
def SVG(env, filename):
filename = str(filename)
if len(filename)>4 and filename[len(filename)-4:] == ".svg":
filename = filename[:len(filename)-4]
env.Command(target = filename+'.pdf',
source = filename+'.eps',
action = 'epstopdf --outfile $TARGET $SOURCE')
env.Command(target = filename+'.eps',
source = filename+'.svg',
action = 'inkscape --export-eps $TARGET $SOURCE')
# env.Command(target = filename+'.pdf',
# source = filename+'.svg',
# action = 'inkscape --export-pdf $TARGET $SOURCE')
AddMethod(Environment, SVG)
for name in Split(""" monte-carlo soft-monte-carlo pair-monte-carlo
triplet-monte-carlo polyhedra-monte-carlo polyhedra-talk
square-well-monte-carlo
radial-distribution-monte-carlo free-energy-monte-carlo
free-energy-monte-carlo-infinite-case"""):
env.Program(
target=name,
source=["src/Monte-Carlo/" + name + ".cpp", 'src/utilities.cpp', 'src/Monte-Carlo/polyhedra.cpp', 'src/Monte-Carlo/square-well.cpp', 'src/vector3d.cpp'])
Alias('executables', name)
Default('executables')
# Generate source code (and pdfs) from haskell:
functionals = Builder(action = '$SOURCE $TARGET')
generate = Environment(BUILDERS = {'Functional' : functionals})
generated_sources = []
for source in Split(""" HardSpheresNoTensor2Fast TensorWhiteBearFast WhiteBearMarkIIFast
gSigmaA_by_handFast gSigmaA_automagicFast
TensorDensityXXFast n2DensityFast VectorDensityXFast
YuWuCorrelationFast SaftFluid2Fast EntropySaftFluid2Fast CorrelationGrossCorrectFast
gSigmaSm2Fast gSigmaAm2Fast gSigmaSFast gSigmaAFast
HughesHBFast
SoftFluidFast HardFluidFast HardRosenfeldFluidFast WaterXFast HughesXFast """):
filename = 'src/' + source + '.cpp'
generated_sources.append(filename)
generate.Functional(target = filename, source = 'src/haskell/functionals.exe')
newgeneric_sources = Split(""" src/new/Minimize.cpp src/new/NewFunctional.cpp """)
newgenerated_sources = []
for name, module, hsfunctional, inputs in [
# The following are just for testing purposes
("ExternalPotentialTest", "ExternalPotentialTest", "external_potential", '[(ER $ r_var "n", ER 1)]'),
("Quadratic", "Quadratic", "quadratic", '[(ER $ r_var "x", ER 1)]'),
("QuadraticN0", "QuadraticN0", "quadratic_n0", '[(ER $ r_var "x", ER 1)]'),
("QuadraticGaussian", "QuadraticGaussian", "quadratic_gaussian", '[(ER $ r_var "x", ER 1)]'),
("LogN0", "LogN0", "log_n0", '[(ER $ r_var "x", ER 1)]'),
("Phi1", "WhiteBear", "kTphi1", '[(ER $ r_var "x", ER 1)]'),
("Phi2", "WhiteBear", "kTphi2", '[(ER $ r_var "x", ER 1)]'),
("Phi3", "WhiteBear", "kTphi3", '[(ER $ r_var "x", ER 1)]'),
("SPhi1", "SFMT", "phi1", '[(ER $ r_var "x", ER 1)]'),
("SPhi2", "SFMT", "phi2", '[(ER $ r_var "x", ER 1)]'),
("SPhi3", "SFMT", "phi3", '[(ER $ r_var "x", ER 1)]'),
# The rest are "real" functionals of sorts
("HomogeneousWhiteBear", "WhiteBear", "homogeneous_whitebear", '[]'),
("HomogeneousWhiteBearFluid", "WhiteBear", "homogeneous_whitebear_fluid", '[]'),
("WhiteBear", "WhiteBear", "whitebear_n", '[(ER $ r_var "n", ER 1)]'),
("WhiteBearFluid", "WhiteBear", "whitebear_fluid_n", '[(ER $ r_var "n", ER 1)]'),
("WhiteBearFluidVeff", "WhiteBear", "whitebear_fluid_Veff",
'[(ER $ r_var "Veff", ER (exp(-r_var "Veff"/s_var "kT")))]'),
#("SW_dispersion", "SW_liquid", "sw_dispersion", '[(ER $ r_var "n", ER 1)]'),
("SFMTFluid", "SFMT", "sfmt_fluid_n", '[(ER $ r_var "n", ER 1)]'),
("SFMTFluidVeff", "SFMT", "sfmt_fluid_Veff",
'[(ER $ r_var "Veff", ER (exp(-r_var "Veff"/s_var "kT")))]'),
("HomogeneousSFMTFluid", "SFMT", "homogeneous_sfmt_fluid", '[]'),
("SW_liquid", "SW_liquid", "sw_liquid_n", '[(ER $ r_var "n", ER 1)]'),
("SW_liquidVeff", "SW_liquid", "sw_liquid_Veff",
'[(ER $ r_var "Veff", ER (exp(-r_var "Veff"/s_var "kT")))]'),
("HomogeneousSW_liquid", "SW_liquid", "homogeneous_sw_liquid", '[]'),
("WaterSaft", "WaterSaft", "water_saft_n", '[]'), # no gradients: for debugging!
("WaterSaftByHand", "WaterSaft", "water_saft_by_hand_n", '[]'), # no gradients: for debugging!
("HomogeneousWaterSaft", "WaterSaft", "homogeneous_water_saft_n", '[]'),
("HomogeneousWaterSaftByHand", "WaterSaft", "homogeneous_water_saft_by_hand_n", '[]')]:
# I'm sloppy and just recreate the generate_%s.hs files every time
f = open('src/haskell/generate_%s.hs' % name, "w")
f.write("""import NewCode
import %s ( %s )
main :: IO ()
main = createHeaderAndCppFiles %s %s "%s"
""" % (module, hsfunctional, hsfunctional, inputs, name))
f.close()
haskell.HaskellMake(target = 'src/haskell/generate_%s.exe' % name,
source = 'src/haskell/generate_%s.hs' % name)
# the following "if" avoid automatically regenerating cpp code
# that takes a long long time to generate.
if name not in ['SW_liquid']:
env.Command(target = ['src/new/%sFast.cpp' % name, 'src/new/%sFast.h' % name],
source = 'src/haskell/generate_%s.exe' % name,
action = './$SOURCE')
newgenerated_sources += ['src/new/%sFast.cpp' % name]
for pdf in Split(""" Association WhiteBear TensorWhiteBear WhiteBearMarkII Dispersion SaftFluid
SimpDispersion EntropySaftFluid GradDispersion JoinedGradDispersion
SW_liquid
SimpGradDispersion SFMT """):
generate.Functional(target = 'doc/' + pdf + '.pdf', source = 'src/haskell/latex-functionals.exe')
Alias('pdf', 'doc/' + pdf + '.pdf')
Default('pdf')
# Here we have ordinary source code:
generic_sources = Split("""
src/lattice.cpp src/utilities.cpp src/Faddeeva.cpp
src/GridDescription.cpp src/Grid.cpp src/ReciprocalGrid.cpp
src/IdealGas.cpp src/ChemicalPotential.cpp
src/HardSpheres.cpp src/ExternalPotential.cpp
src/Functional.cpp src/ContactDensity.cpp
src/Gaussian.cpp src/Pow.cpp src/WaterSaftFast.cpp src/WaterSaft_by_handFast.cpp
src/EffectivePotentialToDensity.cpp
src/equation-of-state.cpp src/water-constants.cpp
src/compute-surface-tension.cpp
src/Minimizer.cpp src/Downhill.cpp
src/Precision.cpp src/ConjugateGradient.cpp
src/QuadraticLineMinimizer.cpp src/SteepestDescent.cpp
""")
all_sources = generic_sources + generated_sources
env.AppendUnique(TARFLAGS = ['-c','-z'])
# Here we have generic rules for our papers
for paper in Split(""" hughes-saft contact fuzzy-fmt pair-correlation water-saft
square-well-fluid
histogram polyhedra renormalization electrostatics """):
p = env.PDF(target = 'papers/' + paper + '/paper.pdf',
source = ['papers/' + paper + '/paper.tex'])
NoCache(p)
Alias('papers', p)
tar_env = Environment(TARFLAGS = r"-c -z --transform 's/papers\///'")
tar_env.Tar(target = 'papers/' + paper + '/arxiv.tar.gz',
source = ['papers/' + paper + '/paper.tex',
'papers/' + paper + '/paper.bbl'] +
Glob('papers/' + paper + '/figs/*.pdf') +
Glob('papers/' + paper + '/figs/*.jpg') +
Glob('papers/' + paper + '/figs/*.png') +
Glob('papers/' + paper + '/figs/*.tex'))
Depends('papers/' + paper + '/arxiv.tar.gz', 'papers/' + paper + '/paper.pdf')
Depends('papers/' + paper + '/arxiv.tar.gz', 'papers/' + paper + '/paper.bbl')
#Alias('papers', 'papers/' + paper + '/arxiv.tar.gz')
Default('papers')
Alias('papers', env.PDF('papers/thesis-hughes/project.tex'))
Alias('papers', env.PDF('papers/thesis-roth/project.tex'))
Alias('papers', env.PDF('papers/thesis-roth/slides-v2.tex'))
Alias('papers', env.PDF('papers/pair-correlation/notes.tex'))
Alias('papers', env.PDF('papers/pair-correlation/figs/ghs-analytics.tex'))
Alias('papers', env.PDF('papers/polyhedra/harmonics.tex'))
Alias('papers', env.PDF('papers/polyhedra/wigner-properties.tex'))
Depends('index.html', 'papers/pair-correlation/figs/pretty-4.svg')
paper = Environment(tools=['gnuplot', 'matplotlib', 'mkdown'])
for paperfile in Glob('papers/*/paper.tex') + Glob('papers/*/project.tex'):
paperdir = os.path.dirname(str(paperfile))
# first let's handle all gnuplot files
for gpfile in Glob(paperdir + '/figs/*.gp'):
gpfile = str(gpfile)[:len(str(gpfile))-3]
x = paper.GplotGraph(gpfile, gp_chdir=paperdir)
for node in x:
outfile = str(node)
basefile = outfile[:len(outfile)-4]
if outfile[len(outfile)-4:] == ".eps":
env.Command(target = basefile + ".pdf",
source = outfile,
action = 'epstopdf $SOURCE')
# and now let's handle all python files
for pyfile in Glob(paperdir + '/figs/*.py') + Glob(paperdir + '/*.py'):
pyfile = str(pyfile)[:len(str(pyfile))-3]
paper.Matplotlib(pyfile, py_chdir=paperdir)
# and now we'll handle all svg files
for svgfile in Glob(paperdir + '/figs/*.svg'):
env.SVG(svgfile)
# #################### papers/hughes-saft ##################################################
env.Command(target = 'papers/hughes-saft/figs/single-rod-in-water.dat',
source = Glob('papers/hughes-saft/figs/single-rod-*nm-energy.dat'),
action = string.join(['cat '] +
sorted(glob.glob('papers/hughes-saft/figs/single-rod-*nm-energy.dat')) +
[' > $TARGET']))
# #################### papers/contact #######################################################
# #################### papers/water-saft ####################################################
for atom in ['Ne', 'Ar', 'Kr', 'Xe']:
env.Command(target = 'papers/water-saft/figs/lj-%s.dat' % atom,
source = Glob('papers/water-saft/figs/lj-%s-*K-energy.dat' % atom),
action = string.join(['cat '] +
sorted(glob.glob('papers/water-saft/figs/lj-%s-*K-energy.dat' % atom)) +
[' > $TARGET']))
for atom in ['Ne', 'Ar', 'Kr', 'Xe']:
env.Command(target = 'papers/water-saft/figs/hughes-lj-%s.dat' % atom,
source = Glob('papers/water-saft/figs/hughes-lj-%s-*K-energy.dat' % atom),
action = string.join(['cat '] +
sorted(glob.glob('papers/water-saft/figs/hughes-lj-%s-*K-energy.dat' % atom)) +
[' > $TARGET']))
# #################### papers/pair-correlation ##############################################
# #################### papers/fuzzy-fmt ##################################################
# #################### papers/histogram ##############################
Alias('papers', env.PDF('papers/histogram/paper.tex'))
# #################### talks ##################################################
# and now we'll handle all svg files
for svgfile in Glob('talks/*/*/*.svg'):
env.SVG(svgfile)
# and all py files
for talkdir in glob.glob('talks/*'):
for pyfile in Glob(talkdir + '/*/*.py'):
pyfile = str(pyfile)[:len(str(pyfile))-3]
paper.Matplotlib(pyfile, py_chdir=talkdir)
env.PDF(talkdir+'/slides.tex')
#Alias('talks', talkdir+'/slides.pdf')
Alias('talks', ['talks/colloquium/slides.pdf'])
#Alias('talks', ['talks/colloquium/slides.pdf', 'talks/polyhedra/slides.pdf'])
###################### dependencies for polyhedra talk ####################
# servernum = 100
# def xserver():
# # xvfb-run needs to run each command on a unique server,
# # so using this function for the server number ensures that
# global servernum
# servernum -= 1
# return servernum
# Depends('talks/polyhedra/slides.pdf',
# env.Command(target = ['talks/polyhedra/figs/background.png'] +
# ['talks/polyhedra/figs/tet-%i.png' %i for i in xrange(3)] +
# ['talks/polyhedra/figs/ice-structure-%i.png' %i for i in xrange(5)],
# source = ['talks/polyhedra/generate-figs.py',
# 'talks/polyhedra/dat/background.dat'] +
# ['talks/polyhedra/dat/tet-%i.dat' %i for i in xrange(3)] +
# ['talks/polyhedra/dat/ice-structure.dat'],
# action = 'cd talks/polyhedra && xvfb-run -n %i --server-args="-screen 0 1024x768x24" ./generate-figs.py' %xserver()))
# Depends('talks/polyhedra/slides.pdf',
# NoCache(env.Command(target = ['talks/polyhedra/dat/background.dat'],
# source = 'polyhedra-talk',
# action = './polyhedra-talk')))
# Depends('talks/polyhedra/slides.pdf',
# env.Command(target = ['talks/polyhedra/anim/mc-slow-%03i.pdf' % i
# for i in xrange(30)],
# source = 'talks/polyhedra/mc-tri-slow.py',
# action = 'cd talks/polyhedra && python2 mc-tri-slow.py'))
# Depends('talks/polyhedra/slides.pdf',
# env.Command(target = ['talks/polyhedra/anim/mc100-%4.2f-%03i.png' % (.5, i)
# for i in xrange(30)],
# source = 'talks/polyhedra/mc-tri.py',
# action = 'cd talks/polyhedra && python2 mc-tri.py'))
# for ff in [0.42, 0.71]:
# Depends('talks/polyhedra/slides.pdf',
# env.Command(
# target = ['papers/polyhedra/figs/anim/periodic-%04.2f-truncated_tetrahedron-216-%i.png' % (ff, i)
# for i in xrange(10)],
# source = ['papers/polyhedra/figs/animate_polyhedra.py'] +
# ['papers/polyhedra/figs/mc/vertices/periodic-%04.2f-vertices-truncated_tetrahedron-216-%i.dat' %(ff, i)
# for i in xrange(10)],
# action = 'cd papers/polyhedra && xvfb-run -n %i --server-args="-screen 0 1024x768x24" ./figs/animate_polyhedra.py %04.2f -p -N 216 -f 10 --save --hide --notext' %(xserver(), ff)))
# Depends('talks/polyhedra/slides.pdf',
# env.Command(
# target = ['papers/polyhedra/figs/mc/vertices/periodic-%04.2f-vertices-truncated_tetrahedron-216-%i.dat'
# % (ff, i) for i in xrange(10)],
# source = 'polyhedra-monte-carlo',
# action = './polyhedra-monte-carlo --ff %04.2f --periodx 20 --periody 20 --periodz 20 --N 216 --iterations 100 --initialize_iterations 1000 --save_vertices 10' %ff))
###################### dependencies for colloquium ########################
Depends('talks/colloquium/slides.pdf',
Split(""" talks/colloquium/figs/energy-solid.pdf
talks/colloquium/figs/energy-solid-gas-liquid.pdf
talks/colloquium/figs/energy-solid-gas.pdf """))
Depends('talks/colloquium/slides.pdf',
env.Command(target = ['talks/colloquium/anim/mc-slow-%03i.pdf' % i
for i in xrange(31)],
source = 'talks/colloquium/mc-circle-slow.py',
action = 'cd talks/colloquium && python2 mc-circle-slow.py'))
Depends('talks/colloquium/slides.pdf',
env.Command(target = ['talks/colloquium/anim/mc-density-%03i.pdf' % i
for i in xrange(31)],
source = 'talks/colloquium/mc-circle-slow.py',
action = 'cd talks/colloquium && python2 mc-circle-slow.py density'))
Depends('talks/colloquium/slides.pdf',
env.Command(target = ['talks/colloquium/anim/mc-pair-%03i.pdf' % i
for i in xrange(31)],
source = 'talks/colloquium/mc-circle-slow.py',
action = 'cd talks/colloquium && python2 mc-circle-slow.py pair'))
Depends('talks/colloquium/slides.pdf',
env.Command(target = ['talks/colloquium/anim/mc-gsigma-%03i.pdf' % i
for i in xrange(31)],
source = 'talks/colloquium/mc-circle-slow.py',
action = 'cd talks/colloquium && python2 mc-circle-slow.py gsigma'))
Default('talks')
# The following programs generate a single .dat file that may be cached.
for mkdat in Split("""
papers/water-saft/figs/surface-tension
papers/water-saft/figs/pressure-with-isotherms
papers/hughes-saft/figs/surface-tension
papers/hughes-saft/figs/pressure-with-isotherms
papers/contact/figs/gHS-vs-n
papers/contact/figs/free-energy
"""):
Alias('executables',
env.Program(target = mkdat + '.mkdat',
source = [mkdat + '.cpp'] + all_sources))
env.Command(mkdat + '.dat', mkdat + '.mkdat', './$SOURCE')
# The following programs generate several .dat files with different
# names, and therefore are unsafe to cache, since we do not list all
# these files here.
for mkdat in Split("""
papers/hughes-saft/figs/single-rod-in-water-low-res
"""):
Alias('executables',
env.Program(target = mkdat + '.mkdat',
source = [mkdat + '.cpp'] + all_sources))
# Do not cache output of mkdat, because other files also need to
# be produced.
NoCache(env.Command(mkdat + '.dat', mkdat + '.mkdat', './$SOURCE'))
for mkdat in Split("""
papers/water-saft/figs/equation-of-state
papers/hughes-saft/figs/equation-of-state
papers/water-saft/figs/rods-in-water
papers/water-saft/figs/four-rods-in-water
papers/water-saft/figs/single-rod
papers/water-saft/figs/hughes-single-rod
papers/water-saft/figs/sphere
papers/water-saft/figs/lj-atom
papers/water-saft/figs/hughes-lj-atom
papers/water-saft/figs/hughes-lj-atom-hs-density
papers/hughes-saft/figs/rods-in-water
papers/hughes-saft/figs/four-rods-in-water
papers/hughes-saft/figs/single-rod
papers/hughes-saft/figs/single-rod-in-water-high-res
papers/hughes-saft/figs/sphere
papers/contact/figs/sphere
papers/contact/figs/inner-sphere
papers/contact/figs/test-particle-wall
papers/contact/figs/walls
papers/pair-correlation/figs/sphere-with-wall
papers/pair-correlation/figs/triplet-dft
papers/pair-correlation/figs/walls
papers/fuzzy-fmt/figs/walls
papers/fuzzy-fmt/figs/soft-sphere
papers/fuzzy-fmt/figs/radial-wca
papers/fuzzy-fmt/figs/radial-lj
papers/fuzzy-fmt/figs/hard-sphere
papers/fuzzy-fmt/figs/soft-wall
"""):
Alias('executables',
env.Program(target = mkdat + '.mkdat',
source = [mkdat + '.cpp'] + all_sources))
for mkdat in Split("""
papers/fuzzy-fmt/figs/new-melting
papers/fuzzy-fmt/figs/new-walls
papers/fuzzy-fmt/figs/new-soft-wall
papers/fuzzy-fmt/figs/new-radial-lj
papers/fuzzy-fmt/figs/new-radial-wca
papers/fuzzy-fmt/figs/new-bh-radial-wca
papers/fuzzy-fmt/figs/new-bh-radial-lj
papers/fuzzy-fmt/figs/homogeneous
papers/fuzzy-fmt/figs/homogeneous-bh
papers/square-well-fluid/figs/new-radial-sw
papers/square-well-fluid/figs/homogeneous
papers/square-well-fluid/figs/coexistence
"""):
Alias('executables',
env.Program(target = mkdat + '.mkdat',
source = [mkdat + '.cpp'] + generic_sources + newgeneric_sources +
['src/new/SFMTFluidFast.cpp',
'src/new/SFMTFluidVeffFast.cpp', 'src/new/HomogeneousSFMTFluidFast.cpp',
'src/new/SW_liquidFast.cpp', 'src/new/SW_liquidVeffFast.cpp',
'src/new/WhiteBearFluidVeffFast.cpp',
'src/new/HomogeneousWhiteBearFluidFast.cpp',
'src/new/HomogeneousSW_liquidFast.cpp']))
for mkdat in Split("""
papers/fuzzy-fmt/figs/homogeneous
papers/fuzzy-fmt/figs/homogeneous-bh
"""):
env.Command(mkdat+'.dat', mkdat+'.mkdat', './$SOURCE')
for mkdat in Split("""
papers/fuzzy-fmt/figs/new-bh-walls
papers/fuzzy-fmt/figs/new-bh-soft-walls
"""):
Alias('executables',
env.Program(target = mkdat + '.mkdat',
source = [mkdat + '.cpp'] + generic_sources + newgeneric_sources +
['src/new/WhiteBearFluidVeffFast.cpp',
'src/new/HomogeneousWhiteBearFluidFast.cpp']))
# rules for how to run fuzzy-fmt/figs/new-walls.mkdat:
for rho in [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.25, 1.5, 1.75, 2.0]:
env.Command(target = "papers/fuzzy-fmt/figs/wallshard-%06.4f-%04.2f.dat" % (0.0, rho),
source = ['papers/fuzzy-fmt/figs/walls.mkdat'],
action = '$SOURCE %g %g' % (rho, 0.0))
for kT in [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 2.5, 5.0, 10.0]:
env.Command(target = "papers/fuzzy-fmt/figs/new-data/bh-soft-wall-%.2f-%.2f.dat" % (rho, kT),
source = ['papers/fuzzy-fmt/figs/new-bh-soft-walls.mkdat'],
action = '$SOURCE %g %g' % (rho, kT))
env.Command(target = "papers/fuzzy-fmt/figs/new-data/wall-%.2f-%.2f.dat" % (rho, kT),
source = ['papers/fuzzy-fmt/figs/new-walls.mkdat'],
action = '$SOURCE %g %g' % (rho, kT))
env.Command(target = "papers/fuzzy-fmt/figs/new-data/bh-wall-%.2f-%.2f.dat" % (rho, kT),
source = ['papers/fuzzy-fmt/figs/new-bh-walls.mkdat'],
action = '$SOURCE %g %g' % (rho, kT))
env.Command(target = "papers/fuzzy-fmt/figs/new-data/soft-wall-%04.2f-%04.2f.dat" % (rho, kT),
source = ['papers/fuzzy-fmt/figs/new-soft-wall.mkdat'],
action = '$SOURCE %g %g' % (rho, kT))
env.Command(target = "papers/fuzzy-fmt/figs/wallssoft-%06.4f-%04.2f.dat" % (kT, rho),
source = ['papers/fuzzy-fmt/figs/walls.mkdat'],
action = '$SOURCE %g %g' % (rho, kT))
for ww in [1.3]:
env.Command(target = ["papers/square-well-fluid/data/coexistence/ww%g.dat" % ww]
+ ['papers/square-well-fluid/data/coexistence/ww%g-kT%g.dat'
% (ww, kT) for kT in [1,2,3,4,5,6,7]],
source = ['papers/square-well-fluid/figs/coexistence.mkdat'],
action = '$SOURCE %g' % ww)
for kT in [1, 2,3,4,5,6,7,8,9,10, 100]:
env.Command(target = "papers/square-well-fluid/data/homogeneous/ww%g-kT%g.dat"
% (ww, kT),
source = ['papers/square-well-fluid/figs/homogeneous.mkdat'],
action = '$SOURCE %g %g' % (ww, kT))
env.Command(target = ['papers/contact/figs/walls.dat',
'papers/contact/figs/wallsWB-0.10.dat',
'papers/contact/figs/wallsWB-0.20.dat',
'papers/contact/figs/wallsWB-0.30.dat',
'papers/contact/figs/wallsWB-0.40.dat'],
source = ['papers/contact/figs/walls.mkdat'],
action = './$SOURCE')
# The following lists the astonishing number of outputs generated by
# pair-correlation walls.mkdat.
env.Command(target = ['papers/pair-correlation/figs/walls.dat',
'papers/pair-correlation/figs/walls/x.dat',
'papers/pair-correlation/figs/walls/z.dat',
# 'papers/pair-correlation/figs/walls/inverse-sixth-dadz-this-work-0.30-rmax-5.dat',
# 'papers/pair-correlation/figs/walls/inverse-sixth-dadz-this-work-mc-0.30-rmax-5.dat',
'papers/pair-correlation/figs/walls/inverse-sixth-dadz-this-work-short-0.30-rmax-5.dat',
'papers/pair-correlation/figs/walls/inverse-sixth-dadz-sokolowski-0.30-rmax-5.dat',
# 'papers/pair-correlation/figs/walls/square-well-dadz-this-work-0.30-1.790.dat',
'papers/pair-correlation/figs/walls/square-well-dadz-this-work-short-0.30-1.790.dat',
# 'papers/pair-correlation/figs/walls/square-well-dadz-this-work-mc-0.30-1.790.dat',
'papers/pair-correlation/figs/walls/square-well-dadz-sokolowski-0.30-1.790.dat']+
['papers/pair-correlation/figs/wallsWB-%04.2f.dat' % ff
for ff in [0.1, 0.2, 0.3]] +
['papers/pair-correlation/figs/walls/walls_daWB-%s-%04.2f-%05.3f.dat' % (method,ff,r)
for ff in [0.3]
for method in ['this-work-short', 'sokolowski', 'fischer']
for r in [2.005, 3.005]] +
['papers/pair-correlation/figs/walls/wallsWB-%s-pair-%04.2f-%04.2f.dat' % (method,ff,z0)
for ff in [0.1, 0.2, 0.3]
for method in ['this-work-short', 'sokolowski', 'fischer']
for z0 in numpy.arange(0.05, 3.95, 0.1)] +
['papers/pair-correlation/figs/walls/wallsWB-path-%s-pair-%04.2f-0.005.dat' % (method,ff)
for ff in [0.1, 0.2, 0.3]
for method in ['this-work-short', 'sokolowski', 'fischer']],
source = ['papers/pair-correlation/figs/walls.mkdat'],
action = './$SOURCE')
env.Command(target = ['papers/water-saft/figs/equation-of-state.dat',
'papers/water-saft/figs/experimental-equation-of-state.dat'],
source = ['papers/water-saft/figs/equation-of-state.mkdat'],
action = './$SOURCE')
env.Command(target = ['papers/hughes-saft/figs/equation-of-state.dat',
'papers/hughes-saft/figs/experimental-equation-of-state.dat'],
source = ['papers/hughes-saft/figs/equation-of-state.mkdat'],
action = './$SOURCE')
########################### Now let's build the website! ##################################
Alias('webpage', paper.Markdown('index.md'))
Default('webpage')
# Here we have rules to build the haskell code
for hs in Glob("src/haskell/[A-Z]*.hs"):
haskell.HaskellObject(hs)
for program in Split("functionals test latex-functionals"):
haskell.HaskellMake(target = 'src/haskell/' + program + '.exe',
source = ['src/haskell/' + program + '.hs'])
NoCache(
haskell.Command(target = ['tests/generated-haskell/nice-sum.h',
'tests/generated-haskell/whitebear.tex',
'tests/generated-haskell/math.tex'],
source = 'src/haskell/test.exe',
# work around sporadic race condition giving "Text file busy" error.
action = 'sleep 1 && $SOURCE codegen'))
################# Now do the test suite ##################################################
for test in Split(""" memory saft eos print-iter convolve-finite-difference precision
compare-gsigmas
convolve functional-of-double ideal-gas eps fftinverse generated-code """):
env.BuildTest(test, all_sources)
for test in Split(""" new-fftinverse functional-arithmetic surface-tension """):
env.BuildTest(test, generic_sources)
# for test in Split(""" sfmt """):
# env.BuildTest(test, generic_sources + ['src/SoftFluidFast.cpp'])
for test in Split(""" newcode """):
env.BuildTest(test, newgeneric_sources)
for test in Split(""" new-hard-spheres new-water-saft new-sfmt-walls new-generated """):
env.BuildTest(test, generic_sources + newgeneric_sources + newgenerated_sources)
env.BuildTest('sw-transition-matrix-density-of-states',
['src/utilities.cpp', 'src/Monte-Carlo/polyhedra.cpp',
'src/Monte-Carlo/square-well.cpp', 'src/vector3d.cpp'])