diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/vasp/package.py | 15 |
1 files changed, 14 insertions, 1 deletions
diff --git a/var/spack/repos/builtin/packages/vasp/package.py b/var/spack/repos/builtin/packages/vasp/package.py index 8b85eaaa30..842cc3bb35 100644 --- a/var/spack/repos/builtin/packages/vasp/package.py +++ b/var/spack/repos/builtin/packages/vasp/package.py @@ -18,6 +18,7 @@ class Vasp(MakefilePackage): homepage = "http://vasp.at" url = "file://{0}/vasp.5.4.4.pl2.tgz".format(os.getcwd()) + version('6.1.1', sha256='e37a4dfad09d3ad0410833bcd55af6b599179a085299026992c2d8e319bf6927') version('5.4.4.pl2', sha256='98f75fd75399a23d76d060a6155f4416b340a1704f256a00146f89024035bc8e') version('5.4.4', sha256='5bd2449462386f01e575f9adf629c08cb03a13142806ffb6a71309ca4431cfb3') @@ -76,6 +77,9 @@ class Vasp(MakefilePackage): filter_file('^CPP_OPTIONS[ ]{0,}=[ ]{0,}', 'CPP_OPTIONS ?= ', 'makefile.include') + filter_file('^FFLAGS[ ]{0,}=[ ]{0,}', + 'FFLAGS ?= ', + 'makefile.include') filter_file('^LIBDIR[ ]{0,}=.*$', '', 'makefile.include') filter_file('^BLAS[ ]{0,}=.*$', 'BLAS ?=', 'makefile.include') @@ -113,8 +117,13 @@ class Vasp(MakefilePackage): '-Dqd_emulate']) else: cpp_options.append('-DHOST=\\"LinuxGNU\\"') + if self.spec.satisfies('@6:'): + cpp_options.append('-Dvasp6') cflags = ['-fPIC', '-DADD_'] + fflags = [] + if '%gcc' in spec or '%intel' in spec: + fflags.append('-w') spack_env.set('BLAS', spec['blas'].libs.ld_flags) spack_env.set('LAPACK', spec['lapack'].libs.ld_flags) @@ -141,15 +150,19 @@ class Vasp(MakefilePackage): if '+vaspsol' in spec: cpp_options.append('-Dsol_compat') + if spec.satisfies('%gcc@10:'): + fflags.append('-fallow-argument-mismatch') + # Finally spack_env.set('CPP_OPTIONS', ' '.join(cpp_options)) spack_env.set('CFLAGS', ' '.join(cflags)) + spack_env.set('FFLAGS', ' '.join(fflags)) def build(self, spec, prefix): if '+cuda' in self.spec: make('gpu', 'gpu_ncl') else: - make() + make('std', 'gam', 'ncl') def install(self, spec, prefix): install_tree('bin/', prefix.bin) |