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Streamline Makefile#45

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danielhollas merged 1 commit intomasterfrom
cleanup-makefile
Nov 3, 2020
Merged

Streamline Makefile#45
danielhollas merged 1 commit intomasterfrom
cleanup-makefile

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@danielhollas danielhollas commented Nov 2, 2020

Make Makefile simpler and more consistent.

I also took this opportunity to move some code from init.F90 to separate files
and separated QMMM stub from force_mm.F90 to qmmm.F90.

Hopefully now the Makefile is easier to understand. Some of the changes here might be a bit cryptic, feel free to ask.

Adresses part of #22.

@danielhollas danielhollas self-assigned this Nov 2, 2020
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codecov Bot commented Nov 2, 2020

Codecov Report

Merging #45 into master will increase coverage by 0.00%.
The diff coverage is 72.80%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master      #45   +/-   ##
=======================================
  Coverage   54.67%   54.67%           
=======================================
  Files          34       36    +2     
  Lines        5533     5536    +3     
=======================================
+ Hits         3025     3027    +2     
- Misses       2508     2509    +1     
Impacted Files Coverage Δ
force_cp2k.F90 0.00% <ø> (ø)
force_mm.f90 0.00% <0.00%> (ø)
force_tera.F90 0.00% <ø> (ø)
force_terash.F90 0.00% <ø> (ø)
plumed.F90 0.00% <ø> (ø)
remd.F90 83.63% <ø> (ø)
transform.F90 48.06% <ø> (ø)
forces.F90 59.28% <33.33%> (ø)
read_cmdline.F90 48.88% <48.88%> (ø)
init.F90 59.23% <88.88%> (+0.10%) ⬆️
... and 5 more

@danielhollas danielhollas force-pushed the cleanup-makefile branch 4 times, most recently from 98e32c8 to 625f0f2 Compare November 3, 2020 01:05
Make Makefile simpler and more consistent.
I also took this opportunity to move some
code from init.F90 to separate files
and separated QMMM stub from force_mm.F90 to qmmm.F90
@danielhollas danielhollas force-pushed the cleanup-makefile branch 3 times, most recently from ec6af24 to 2330a2d Compare November 3, 2020 02:08
@danielhollas danielhollas changed the title Streamline Makefile WIP: Streamline Makefile Nov 3, 2020
@danielhollas danielhollas force-pushed the cleanup-makefile branch 2 times, most recently from 819bbf4 to f51e3e7 Compare November 3, 2020 08:21
@danielhollas danielhollas changed the title WIP: Streamline Makefile Streamline Makefile Nov 3, 2020
@danielhollas danielhollas merged commit b16aa08 into master Nov 3, 2020
@danielhollas danielhollas deleted the cleanup-makefile branch November 3, 2020 09:23
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2 participants