Changes for ibm xlf compiler compatibility #128
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ghost
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Codecov Report
@@ Coverage Diff @@
## master #128 +/- ##
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- Coverage 40.71% 40.69% -0.02%
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Files 62 62
Lines 11717 11743 +26
Branches 1293 1313 +20
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+ Hits 4770 4779 +9
- Misses 6425 6437 +12
- Partials 522 527 +5
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src/prg_normalize_mod.F90
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| type(bml_matrix_t),intent(inout) :: h_bml | ||
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| real(dp) :: beta, maxMinusMin | ||
| real(dp), intent(in) :: mu, emin, emax | ||
| real(dp), intent(inout) :: scaledmu, alpha | ||
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| stop |
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Is that a left over debug statement, or do you want to leave it here?
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Good catch Nick, thanks!
tests/src/main.F90
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| @@ -895,7 +896,7 @@ program main | |||
| case("prg_system_parse_write_xyz") | |||
| call prg_parse_system(mol,"coords_100","xyz") | |||
| call prg_write_system(mol, "mysystem","xyz") | |||
| call system("diff -qs mysystem.xyz coords_100.xyz > tmp.tmp") | |||
| call system("diff -qs --ignore-space-change mysystem.xyz coords_100.xyz > tmp.tmp") | |||
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Alternatively, you could use --ignore-all-space which also includes changes in trailing whitespace.
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I'll make that change, thanks!
tests/src/main.F90
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| @@ -934,7 +935,8 @@ program main | |||
| !> Loading the tb parameters (electrons.dat) | |||
| call load_latteTBparams(tbparams,mol%splist,"./") | |||
| call write_latteTBparams(tbparams,"myelectrons.dat") | |||
| call system("diff -qs myelectrons.dat electrons.dat > tmp.tmp") | |||
| call system("diff -qs --ignore-all-space myelectrons.dat electrons.dat > tmp.tmp") | |||
| call system("diff --ignore-all-space myelectrons.dat electrons.dat") | |||
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If you would like to print the diff and write it to file you can do this in one line with
call system("diff --report-identical-files --ignore-all-space myelectrons.dat electrons.dat | tee tmp.tmp")
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I have expanded the -s option to --report-identical-files which I personally find more readable. But that's not necessary for the above to work.
Changes for xlf IBM compiler compatibility.
This change is