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Adding CP2K v.2.4.0 and CP2K with i-pi #993
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Automatic reply from Jenkins: Can I test this? |
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diff -rupN cp2k-2.4.0_ref/makefiles/Makefile cp2k-2.4.0/makefiles/Makefile |
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Add a comment what this patch does?
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Done
ok to test |
Configs have been modified as per your suggestions |
Jenkins: ok to test |
Jenkins: test this please |
@wpoely86: please review |
Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4312/console for more details). This pull request is now ready for review/testing. Please try and find someone who can tackle this; contact @boegel if you're not sure what to do. |
'cp2k-2.4.0_ipi.patch', | ||
'fix_compile_date_lastcvs.patch', | ||
'do_regtest_nocompile.patch' | ||
] |
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remove spaces
2 tiny remarks, else good to go. |
Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4333/console for more details). This pull request is now ready for review/testing. Please try and find someone who can tackle this; contact @boegel if you're not sure what to do. |
Easyconfigs unit test suite FAILed. See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4334/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. |
Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4336/console for more details). This pull request is now ready for review/testing. Please try and find someone who can tackle this; contact @boegel if you're not sure what to do. |
sources = [SOURCELOWER_TAR_BZ2] | ||
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patches = [ | ||
'CP2K-2.4.0_ipi.patch', |
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preferably, use %(version)s
here (Same below)
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+1, please use %(version)s
lgtm |
@@ -0,0 +1,510 @@ | |||
#This patch makes CP2K source code compatible with i-pi |
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where does this come from? who created it?
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@boegel: This is a patch the i-pi developers created. It can be found here:
https://github.com/i-pi/i-pi/tree/master/patches
In the documentation it is explained that i-PI is distributed with patch files. When
applied to a clean distribution, these will adjust the source code to make it compatible
with i-PI. So, maybe I should modify the patch file and add a link from where I got the patch.
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thanks for clarifying this in the patch @tloizou!
Easyconfigs unit test suite FAILed. See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4387/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. |
Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4389/console for more details). This pull request is now ready for review/testing. Please try and find someone who can tackle this; contact @boegel if you're not sure what to do. |
# about 100 tests fail | ||
ignore_regtest_fails=True | ||
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@tloizou: missing moduleclass
line
Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/4426/console for more details). This pull request is now ready for review/testing. Please try and find someone who can tackle this; contact @boegel if you're not sure what to do. |
Jenkins: test this please |
Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7054/console for more details). This pull request is now ready for review/testing. Please try and find someone who can tackle this; contact @boegel if you're not sure what to do. |
Test report by @boegel |
OK, going in (finally!). Thanks @tloizou! |
Adding CP2K v.2.4.0 and CP2K with i-pi
Contributing CP2K v.2.4.0
A minor modification has been made in fix_compile_date_lastcvs.patch
Contributing also CP2K v.2.4.0 with support of i-pi python code (https://github.com/i-pi/i-pi)