Differential D13080

New port: science/erd: AcesIII electron repulsion integrals
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Authored by yuri on Nov 14 2017, 9:05 AM.

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tcberner
adamw

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rP454190: New port: science/erd: AcesIII electron repulsion integrals

Summary

To support psi4 quantunm chemistry package

Diff Detail

Repository

rP FreeBSD ports repository

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Tests Not Applicable

Event Timeline

yuri created this revision.Nov 14 2017, 9:05 AM

Herald added a subscriber: mat. · View Herald TranscriptNov 14 2017, 9:05 AM

Harbormaster completed remote builds in B12734: Diff 35223.Nov 14 2017, 9:05 AM

tcberner added inline comments.Nov 14 2017, 5:49 PM

science/erd/Makefile
19 ↗	(On Diff #35223)	^ it looks weird to set empty with += [though I also like the symmetry :D ] Probably you should prefer: CMAKE_ARGS= -DBUILD...\ -DENABLE...

yuri marked an inline comment as done.Nov 14 2017, 6:02 PM

yuri added inline comments.

science/erd/Makefile
19 ↗	(On Diff #35223)	Besides symmetry, individual lines are easier to remove/comment out. And the price is only a few extra characters. Do you still think it should be changed?

tcberner added inline comments.Nov 14 2017, 6:15 PM

science/erd/Makefile
19 ↗	(On Diff #35223)	Even though it pains me, yes :-)

Changed CMAKE_ARGS. We can live with the pain.

Harbormaster completed remote builds in B12745: Diff 35247.Nov 14 2017, 6:18 PM

yuri marked 2 inline comments as done.Nov 14 2017, 6:19 PM

tcberner accepted this revision.Nov 14 2017, 6:24 PM

This revision is now accepted and ready to land.Nov 14 2017, 6:24 PM

Closed by commit rP454190: New port: science/erd: AcesIII electron repulsion integrals (authored by yuri). · Explain WhyNov 14 2017, 6:44 PM

This revision was automatically updated to reflect the committed changes.

Revision Contents
Changeset List

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science/

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erd/

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Diff 35249

head/science/Makefile

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head/science/erd/Makefile

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head/science/erd/distinfo

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head/science/erd/pkg-descr

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head/science/erd/pkg-plist

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