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Bug 213346 - sci-chemistry/apbs some env variables should be set
Summary: sci-chemistry/apbs some env variables should be set
Status: RESOLVED FIXED
Alias: None
Product: Gentoo Linux
Classification: Unclassified
Component: New packages (show other bugs)
Hardware: All Linux
: High enhancement (vote)
Assignee: Markus Dittrich (RETIRED)
URL:
Whiteboard:
Keywords:
Depends on:
Blocks: 213616
  Show dependency tree
 
Reported: 2008-03-14 07:29 UTC by Justin Lecher (RETIRED)
Modified: 2008-07-07 07:25 UTC (History)
1 user (show)

See Also:
Package list:
Runtime testing required: ---


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Description Justin Lecher (RETIRED) gentoo-dev 2008-03-14 07:29:41 UTC
Some programs e.g. pymol need some env variables for apbs to be set. Following diff for the new ebuild would provide the necessary things:

--- apbs-0.5.1.ebuild.orig   2008-01-12 15:06:35.000000000 +0100
+++ apbs-0.5.1.ebuild      2008-03-14 08:26:26.000000000 +0100
@@ -69,4 +69,8 @@
        insinto /usr/share/${PF}/tools
        doins -r tools/* || die "failed to install tools"
 
+       cat >> "${T}"/20apbs <<- EOF
+       APBS_BINARY="/usr/bin/apbs"
+       APBS_PSIZE="/usr/share/${PV}/tools/manip/psize.py"
+       EOF
 }

Reproducible: Always
Comment 1 Justin Lecher (RETIRED) gentoo-dev 2008-03-14 07:51:23 UTC
--- apbs-0.5.1.ebuild.orig   2008-01-12 15:06:35.000000000 +0100
+++ apbs-0.5.1.ebuild      2008-03-14 08:26:26.000000000 +0100
@@ -69,4 +69,8 @@
        insinto /usr/share/${PF}/tools
        doins -r tools/* || die "failed to install tools"

+       cat >> "${T}"/20apbs <<- EOF
+       APBS_BINARY="/usr/bin/apbs"
+       APBS_PSIZE="/usr/share/${P}/tools/manip/psize.py"
+       EOF
 }

Thats the right one!
Comment 2 Markus Dittrich (RETIRED) gentoo-dev 2008-03-14 13:09:52 UTC
Hi Justin,

Thanks much for the note. It looks like these
environmental variables are specific to pymol 
rather than apbs and should, therefore, be exported
by the former rather than apbs. What do you think?

Thanks,
Markus
Comment 3 Justin Lecher (RETIRED) gentoo-dev 2008-03-14 13:19:03 UTC
Hi Markus,

it's a bit tricky. Since apbs is not a dep of pymol, there would be a pointless env entry. Two ways to escape:
First put it in apbs.
Second introduce a USE flag in pymol which pulls in apbs and sets the env. 

Perhaps you are right and that way is more elegant. Or apbs should become a default dep of pymol as the plugin interface is installed anyway. (no-apbs USE flag for those who don't want apbs support?)
Comment 4 Markus Dittrich (RETIRED) gentoo-dev 2008-03-15 11:10:23 UTC
Hi Justin,

> it's a bit tricky. Since apbs is not a dep of pymol, there would be a pointless
> env entry. 

The same would be true the other way round. All users of apbs who
don't happen to use pymol would have an unused entry.

> Second introduce a USE flag in pymol which pulls in apbs and sets the env. 
> 
> Perhaps you are right and that way is more elegant. Or apbs should become a
> default dep of pymol as the plugin interface is installed anyway. (no-apbs USE
> flag for those who don't want apbs support?)
> 

I think your second option is the better one.
Unfortunately, I don't know pymol very well but it seems to me that if 
pymol has a plugin for apbs it should also depend on the latter. Otherwise
users have some functionality (the plugin) that doesn't work. An apbs use flag
for pymol would be a possibility but only if one could actually disable the
plugin from being present for USE="-apbs"; otherwise users again are presented
with a non-functioning plugin interface.

How does that sound?

cheers,
Markus




Comment 5 Justin Lecher (RETIRED) gentoo-dev 2008-07-07 07:25:18 UTC
Fixed with solution from #229687.