diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/wannier90/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/wannier90/package.py | 211 |
1 files changed, 101 insertions, 110 deletions
diff --git a/var/spack/repos/builtin/packages/wannier90/package.py b/var/spack/repos/builtin/packages/wannier90/package.py index f4c3f97c2b..a3b22e25d6 100644 --- a/var/spack/repos/builtin/packages/wannier90/package.py +++ b/var/spack/repos/builtin/packages/wannier90/package.py @@ -14,186 +14,177 @@ class Wannier90(MakefilePackage): Wannier90 is released under the GNU General Public License. """ - homepage = 'http://wannier.org' - url = 'https://github.com/wannier-developers/wannier90/archive/v3.1.0.tar.gz' - version('3.1.0', sha256='40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254') - version('3.0.0', sha256='f196e441dcd7b67159a1d09d2d7de2893b011a9f03aab6b30c4703ecbf20fe5b') - version('2.1.0', sha256='ee90108d4bc4aa6a1cf16d72abebcb3087cf6c1007d22dda269eb7e7076bddca') - version('2.0.1', sha256='05ea7cd421a219ce19d379ad6ae3d9b1a84be4ffb367506ffdfab1e729309e94') + homepage = "http://wannier.org" + url = "https://github.com/wannier-developers/wannier90/archive/v3.1.0.tar.gz" - depends_on('mpi') - depends_on('lapack') - depends_on('blas') + version("3.1.0", sha256="40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254") + version("3.0.0", sha256="f196e441dcd7b67159a1d09d2d7de2893b011a9f03aab6b30c4703ecbf20fe5b") + version("2.1.0", sha256="ee90108d4bc4aa6a1cf16d72abebcb3087cf6c1007d22dda269eb7e7076bddca") + version("2.0.1", sha256="05ea7cd421a219ce19d379ad6ae3d9b1a84be4ffb367506ffdfab1e729309e94") + + depends_on("mpi") + depends_on("lapack") + depends_on("blas") parallel = False - variant( - 'shared', - default=True, - description='Builds a shared version of the library' - ) + variant("shared", default=True, description="Builds a shared version of the library") @property def build_targets(self): targets = [] - if '@:2' in self.spec: - targets = [ - 'lib', 'wannier', 'post', 'w90chk2chk', 'w90vdw', 'w90pov' - ] - if '@3:' in self.spec: - targets = ['wannier', 'post', 'lib', 'w90chk2chk', 'w90vdw'] - if '+shared' in self.spec: - targets.append('dynlib') + if "@:2" in self.spec: + targets = ["lib", "wannier", "post", "w90chk2chk", "w90vdw", "w90pov"] + if "@3:" in self.spec: + targets = ["wannier", "post", "lib", "w90chk2chk", "w90vdw"] + if "+shared" in self.spec: + targets.append("dynlib") return targets def url_for_version(self, version): - if (version > Version('2')): - url = 'https://github.com/wannier-developers/wannier90/archive/v{0}.tar.gz' + if version > Version("2"): + url = "https://github.com/wannier-developers/wannier90/archive/v{0}.tar.gz" else: - url = 'http://wannier.org/code/wannier90-{0}.tar.gz' + url = "http://wannier.org/code/wannier90-{0}.tar.gz" return url.format(version) @property def makefile_name(self): # Version 2.0.1 uses make.sys, # other verions use make.inc - if self.spec.satisfies('@2.0.1'): - filename = 'make.sys' + if self.spec.satisfies("@2.0.1"): + filename = "make.sys" else: - filename = 'make.inc' + filename = "make.inc" abspath = join_path(self.stage.source_path, filename) return abspath def edit(self, spec, prefix): - lapack = self.spec['lapack'].libs - blas = self.spec['blas'].libs - mpi = self.spec['mpi'].libs + lapack = self.spec["lapack"].libs + blas = self.spec["blas"].libs + mpi = self.spec["mpi"].libs substitutions = { - '@F90': spack_fc, - '@MPIF90': self.spec['mpi'].mpifc, - '@LIBS': (lapack + blas + mpi).joined() + "@F90": spack_fc, + "@MPIF90": self.spec["mpi"].mpifc, + "@LIBS": (lapack + blas + mpi).joined(), } - template = join_path( - os.path.dirname(inspect.getmodule(self).__file__), - 'make.sys' - ) + template = join_path(os.path.dirname(inspect.getmodule(self).__file__), "make.sys") copy(template, self.makefile_name) for key, value in substitutions.items(): filter_file(key, value, self.makefile_name) - if '@:2 +shared' in self.spec: + if "@:2 +shared" in self.spec: # this is to build a .shared wannier90 library - filter_file('LIBRARY = ../../libwannier.a', - 'LIBRARY = ../../libwannier.' + dso_suffix, - join_path(self.stage.source_path, 'src/Makefile.2')) - filter_file('parameters.o kmesh.o io.o comms.o ' - 'utility.o get_oper.o constants.o ' - 'postw90_common.o wan_ham.o spin.o ' - 'dos.o berry.o kpath.o kslice.o ' - 'boltzwann.o geninterp.o', - 'comms.o get_oper.o postw90_common.o ' - 'wan_ham.o spin.o dos.o berry.o ' - 'kpath.o kslice.o boltzwann.o geninterp.o', - join_path(self.stage.source_path, - 'src/Makefile.2')) - filter_file('../../wannier90.x: .*', - '../../wannier90.x: $(OBJS) ' - '../wannier_prog.F90 $(LIBRARY)', - join_path(self.stage.source_path, - 'src/Makefile.2')) - filter_file('../../postw90.x: $(OBJS_POST) ' - '$(POSTDIR)postw90.F90', - '../../postw90.x: $(OBJS_POST) ' - '$(POSTDIR)postw90.F90 $(LIBRARY)', - join_path(self.stage.source_path, - 'src/Makefile.2'), string=True) filter_file( - '$(COMPILER) ../wannier_prog.F90 ' - '$(LDOPTS) $(OBJS) $(LIBS) ' - '-o ../../wannier90.x', - '$(COMPILER) -I../obj ../wannier_prog.F90 ' - '$(LDOPTS) -L../.. -lwannier ' - '-o ../../wannier90.x', - join_path(self.stage.source_path, - 'src/Makefile.2'), string=True) + "LIBRARY = ../../libwannier.a", + "LIBRARY = ../../libwannier." + dso_suffix, + join_path(self.stage.source_path, "src/Makefile.2"), + ) filter_file( - '$(COMPILER) $(POSTDIR)postw90.F90 ' - '$(POSTOPTS) $(LDOPTS) ' - '$(OBJS_POST) ' - '$(LIBS) -o ../../postw90.x', - '$(COMPILER) -I../obj $(POSTDIR)postw90.F90 ' - '$(POSTOPTS) $(LDOPTS) $(OBJS_POST) ' - '-L../.. -lwannier $(LIBS) -o ../../postw90.x', - join_path(self.stage.source_path, - 'src/Makefile.2'), string=True) + "parameters.o kmesh.o io.o comms.o " + "utility.o get_oper.o constants.o " + "postw90_common.o wan_ham.o spin.o " + "dos.o berry.o kpath.o kslice.o " + "boltzwann.o geninterp.o", + "comms.o get_oper.o postw90_common.o " + "wan_ham.o spin.o dos.o berry.o " + "kpath.o kslice.o boltzwann.o geninterp.o", + join_path(self.stage.source_path, "src/Makefile.2"), + ) filter_file( - '$(AR) $(ARFLAGS) ' - '$(LIBRARY) $(OBJS2) $(OBJS)', - '$(MPIF90) $(FCOPTS) -shared -o ' - '$(LIBRARY) $(OBJS2) $(OBJS) $(LIBS)', - join_path(self.stage.source_path, - 'src/Makefile.2'), string=True) + "../../wannier90.x: .*", + "../../wannier90.x: $(OBJS) " "../wannier_prog.F90 $(LIBRARY)", + join_path(self.stage.source_path, "src/Makefile.2"), + ) + filter_file( + "../../postw90.x: $(OBJS_POST) " "$(POSTDIR)postw90.F90", + "../../postw90.x: $(OBJS_POST) " "$(POSTDIR)postw90.F90 $(LIBRARY)", + join_path(self.stage.source_path, "src/Makefile.2"), + string=True, + ) + filter_file( + "$(COMPILER) ../wannier_prog.F90 " + "$(LDOPTS) $(OBJS) $(LIBS) " + "-o ../../wannier90.x", + "$(COMPILER) -I../obj ../wannier_prog.F90 " + "$(LDOPTS) -L../.. -lwannier " + "-o ../../wannier90.x", + join_path(self.stage.source_path, "src/Makefile.2"), + string=True, + ) + filter_file( + "$(COMPILER) $(POSTDIR)postw90.F90 " + "$(POSTOPTS) $(LDOPTS) " + "$(OBJS_POST) " + "$(LIBS) -o ../../postw90.x", + "$(COMPILER) -I../obj $(POSTDIR)postw90.F90 " + "$(POSTOPTS) $(LDOPTS) $(OBJS_POST) " + "-L../.. -lwannier $(LIBS) -o ../../postw90.x", + join_path(self.stage.source_path, "src/Makefile.2"), + string=True, + ) + filter_file( + "$(AR) $(ARFLAGS) " "$(LIBRARY) $(OBJS2) $(OBJS)", + "$(MPIF90) $(FCOPTS) -shared -o " "$(LIBRARY) $(OBJS2) $(OBJS) $(LIBS)", + join_path(self.stage.source_path, "src/Makefile.2"), + string=True, + ) def setup_build_environment(self, env): - env.set('MPIFC', self.prefix.bin.mpifc) + env.set("MPIFC", self.prefix.bin.mpifc) def install(self, spec, prefix): mkdirp(self.prefix.bin) mkdirp(self.prefix.lib) - if '+shared' in spec: + if "+shared" in spec: mkdirp(self.prefix.modules) install( - join_path(self.stage.source_path, 'wannier90.x'), - join_path(self.prefix.bin, 'wannier90.x') + join_path(self.stage.source_path, "wannier90.x"), + join_path(self.prefix.bin, "wannier90.x"), ) install( - join_path(self.stage.source_path, 'postw90.x'), - join_path(self.prefix.bin, 'postw90.x') + join_path(self.stage.source_path, "postw90.x"), join_path(self.prefix.bin, "postw90.x") ) inst = [] - if '+shared' in spec: - inst.append('libwannier.' + dso_suffix) + if "+shared" in spec: + inst.append("libwannier." + dso_suffix) # version 3 or 2 without the shared variant # also has a .a version of the library - if '@3:' in spec or '~shared' in spec: - inst.append('libwannier.a') + if "@3:" in spec or "~shared" in spec: + inst.append("libwannier.a") for file in inst: - install(join_path(self.stage.source_path, file), - join_path(self.prefix.lib, file)) + install(join_path(self.stage.source_path, file), join_path(self.prefix.lib, file)) install( - join_path(self.stage.source_path, 'w90chk2chk.x'), - join_path(self.prefix.bin, 'w90chk2chk.x') + join_path(self.stage.source_path, "w90chk2chk.x"), + join_path(self.prefix.bin, "w90chk2chk.x"), ) install( - join_path(self.stage.source_path, 'utility', 'w90vdw', 'w90vdw.x'), - join_path(self.prefix.bin, 'w90vdw.x') + join_path(self.stage.source_path, "utility", "w90vdw", "w90vdw.x"), + join_path(self.prefix.bin, "w90vdw.x"), ) - if spec.satisfies('@:2'): + if spec.satisfies("@:2"): install( - join_path(self.stage.source_path, - 'utility', 'w90pov', 'w90pov'), - join_path(self.prefix.bin, 'w90pov') + join_path(self.stage.source_path, "utility", "w90pov", "w90pov"), + join_path(self.prefix.bin, "w90pov"), ) install_tree( - join_path(self.stage.source_path, 'pseudo'), - join_path(self.prefix.bin, 'pseudo') + join_path(self.stage.source_path, "pseudo"), join_path(self.prefix.bin, "pseudo") ) - for file in find(join_path(self.stage.source_path, 'src/obj'), - '*.mod'): + for file in find(join_path(self.stage.source_path, "src/obj"), "*.mod"): install(file, self.prefix.modules) |