Files for building recent NWChem releases with EasyBuild, and patches for same

[valtandor]

Depends on easybuilders/easybuild-easyblocks#834 and easybuilders/easybuild-framework#1623

[hpcugentbot]

Automatic reply from Jenkins: Can I test this?

[boegel]

Jenkins: ok to test

[hpcugentbot]

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/6307/console for more details.

Please fix the reported issues by pushing additional commits to the branch corresponding with this pull request; contact @boegel if you're not sure what to do.

[boegel]

@valtandor:

AssertionError: Filename '/data/jenkins/workspace/easybuild-easyconfigs-pr-builder@2/easybuild/easyconfigs/n/NWChem/NWChem-6.6.revision27844-intel-2015a-Python-2.7.9.eb' of parsed easyconfig matches expected filename 'NWChem-6.6-intel-2015a-Python-2.7.9.eb'

[hpcugentbot]

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/6333/console for more details.

Please fix the reported issues by pushing additional commits to the branch corresponding with this pull request; contact @boegel if you're not sure what to do.

[hpcugentbot]

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/6368/console for more details.

Please fix the reported issues by pushing additional commits to the branch corresponding with this pull request; contact @boegel if you're not sure what to do.

[hpcugentbot]

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7106/console for more details.

Please fix the reported issues by pushing additional commits to the branch corresponding with this pull request; contact @boegel if you're not sure what to do.

[boegelbot]

Travis test report: 8/8 runs failed - see https://travis-ci.org/hpcugent/easybuild-easyconfigs/builds/235058606

Only showing partial log for 1st failed test suite run 4708.1;
full log at https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058607

...
FAIL: Test for parsing of easyconfig NWChem-6.6.revision27844-intel-2015a-Python-2.7.9.eb
----------------------------------------------------------------------
Traceback (most recent call last):
  File "<string>", line 1, in innertest
  File "/home/travis/build/hpcugent/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 210, in template_easyconfig_test
    self.assertEqual(os.path.basename(spec), expected_fn, msg)
AssertionError: Filename '/home/travis/build/hpcugent/easybuild-easyconfigs/easybuild/easyconfigs/n/NWChem/NWChem-6.6.revision27844-intel-2015a-Python-2.7.9.eb' of parsed easyconfig matches expected filename 'NWChem-6.6-intel-2015a-Python-2.7.9.eb'

----------------------------------------------------------------------
Ran 7109 tests in 113.552s

FAILED (failures=1)
ERROR: Not all tests were successful.

• 4708.2 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058608
• 4708.3 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058609
• 4708.4 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058610
• 4708.5 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058611
• 4708.6 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058612
• 4708.7 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058613
• 4708.8 - errored => https://travis-ci.org/hpcugent/easybuild-easyconfigs/jobs/235058614
  (bleep, bloop, I'm just a bot, please talk to my owner @boegel if you notice you me acting stupid)

[scroogie]

Seems this PR had a newer revision of NWChem than the latest.
@valtandor Did you abandon this?

[migueldiascosta]

@valtandor, this PR is being closed for the following reason(s): no activity for > 1 year.
Please don't hesitate to reopen this PR or add a comment if you feel this contribution is still relevant.
For more information on our policy w.r.t. closing PRs, see https://easybuild.readthedocs.io/en/latest/Contributing.html#why-a-pull-request-may-be-closed-by-a-maintainer