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authorEdoardo Aprà <edoardo.apra@gmail.com>2020-10-13 21:06:21 -0700
committerGitHub <noreply@github.com>2020-10-13 23:06:21 -0500
commitc60cbab215efcd5fcd71ba318a4c9d1b4cc1e48d (patch)
tree722c4935c4f9fd79159df98419987289ba37c2e8
parent721efc62d1f7132f2683ec0ceddc1735a57abd36 (diff)
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new release 7.0.2 (#19297)
-rw-r--r--var/spack/repos/builtin/packages/nwchem/package.py13
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([