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| author | Edoardo Aprà <edoardo.apra@gmail.com> | 2020-10-13 21:06:21 -0700 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-10-13 23:06:21 -0500 |
| commit | c60cbab215efcd5fcd71ba318a4c9d1b4cc1e48d (patch) | |
| tree | 722c4935c4f9fd79159df98419987289ba37c2e8 | |
| parent | 721efc62d1f7132f2683ec0ceddc1735a57abd36 (diff) | |
| download | spack-c60cbab215efcd5fcd71ba318a4c9d1b4cc1e48d.tar.gz spack-c60cbab215efcd5fcd71ba318a4c9d1b4cc1e48d.tar.bz2 spack-c60cbab215efcd5fcd71ba318a4c9d1b4cc1e48d.tar.xz spack-c60cbab215efcd5fcd71ba318a4c9d1b4cc1e48d.zip | |
new release 7.0.2 (#19297)
| -rw-r--r-- | var/spack/repos/builtin/packages/nwchem/package.py | 13 |
1 files changed, 8 insertions, 5 deletions
diff --git a/var/spack/repos/builtin/packages/nwchem/package.py b/var/spack/repos/builtin/packages/nwchem/package.py index 5bcc98cb19..41d5027d6b 100644 --- a/var/spack/repos/builtin/packages/nwchem/package.py +++ b/var/spack/repos/builtin/packages/nwchem/package.py @@ -11,11 +11,13 @@ import os class Nwchem(Package): """High-performance computational chemistry software""" - homepage = "http://nwchemgit.github.io" - url = "https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-srconly.2020-02-26.tar.bz2" + homepage = "https://nwchemgit.github.io" + url = "https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-srconly.2020-10-12.tar.bz2" tags = ['ecp', 'ecp-apps'] + version('7.0.2', sha256='9bf913b811b97c8ed51bc5a02bf1c8e18456d0719c0a82b2e71223a596d945a7', + url='https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-srconly.2020-10-12.tar.bz2') version('7.0.0', sha256='e3c6510627345be596f4079047e5e7b59e6c20599798ecfe122e3527f8ad6eb0', url='https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-srconly.2020-02-26.tar.bz2') version('6.8.1', sha256='fd20f9ca1b410270a815e77e052ec23552f828526cd252709f798f589b2a6431', @@ -64,12 +66,12 @@ class Nwchem(Package): scalapack = spec['scalapack'].libs lapack = spec['lapack'].libs blas = spec['blas'].libs - # see http://www.nwchem-sw.org/index.php/Compiling_NWChem + # see https://nwchemgit.github.io/Compiling-NWChem.html args = [] args.extend([ 'NWCHEM_TOP=%s' % self.stage.source_path, # NWCHEM is picky about FC and CC. They should NOT be full path. - # see http://www.nwchem-sw.org/index.php/Special:AWCforum/sp/id7524 + # see https://nwchemgit.github.io/Special_AWCforum/sp/id7524 'CC=%s' % os.path.basename(spack_cc), 'FC=%s' % os.path.basename(spack_fc), 'USE_MPI=y', @@ -79,7 +81,8 @@ class Nwchem(Package): 'LAPACK_LIB=%s' % lapack.ld_flags, 'SCALAPACK_LIB=%s' % scalapack.ld_flags, 'NWCHEM_MODULES=all python', - 'NWCHEM_LONG_PATHS=Y' # by default NWCHEM_TOP is 64 char max + 'NWCHEM_LONG_PATHS=Y', # by default NWCHEM_TOP is 64 char max + 'USE_NOIO=Y' # skip I/O algorithms ]) if spec.version < Version('7.0.0'): args.extend([ |