Re: [Avogadro-devel] Make Package for Avogadro

2016-10-13 Thread Patrick Avery
Ah, I think I see the cmake option now. ENABLE_AVO_PACKAGE. I will try this
when I get back to my Mac.

On Wed, Oct 12, 2016 at 11:59 PM, Patrick Avery  wrote:

> Hi Geoff,
>
> I just recently looked at the Avogadro.app at /Applications/Avogadro.app
> that is a result of a "make install." Mine works fine, but it does NOT
> include anything from open babel (no dylib files or .txt files or
> anything). So I know that when I put it on someone else's computer, it's
> not gonna work for them (because they are missing Open Babel stuff). The
> DMG that is released for Avogadro1.2.0 DOES have the OpenBabel dylib files
> and everything you need.
>
> So I'm trying to figure out what mine must be doing differently. Did you
> have a different cmake command than me? Or is dmgcanvas adding files to it
> that are dependencies?
>
> I have attached my Avogadro.app.tgz file so you can see that the Open
> Babel stuff is indeed missing.
>
> Alternatively, you could compile it for me and send me a Avogadro.app.zip
> file. It is:
>
> git clone -b avogadro-yaehmop-bands-dos https://github.com/psavery/
> avogadro
>
> However, I'd like to figure out why my Open Babel files aren't being
> installed as well. If you use your script, make sure you don't delete
> "bin", yaehmop will be in there and will be needed...
>
> Thanks,
> Patrick
>
> On Wed, Oct 12, 2016 at 4:16 PM, Geoffrey Hutchison <
> geoff.hutchi...@gmail.com> wrote:
>
>> > For now, I might just try zipping the Avogadro.app file. I just want to
>> make sure that it has all of the OpenBabel .dylib files in it (and the data
>> files and anything else). "Make package" was pretty close to working except
>> it didn't include those dependencies.
>>
>> Just do “make install” and then zip up the Avogadro.app.
>>
>> I have attached the release-avo shell script and my DMG files.
>>
>> -Geoff
>>
>>
>
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Re: [Avogadro-devel] Make Package for Avogadro

2016-10-12 Thread Patrick Avery
Hi Geoff,

Yeah, can I see that script? I might consider buying dmg canvas if I think
I'll use it in the future.

For now, I might just try zipping the Avogadro.app file. I just want to
make sure that it has all of the OpenBabel .dylib files in it (and the data
files and anything else). "Make package" was pretty close to working except
it didn't include those dependencies.

As for the Linux package, I guess I can just require Linux users to compile
it. I doubt many of the students are Linux users anyways, and if they are,
they hopefully know how to use the terminal at least.

Thanks Marcus and Geoff! I'll try those things out.
Patrick

On Wednesday, October 12, 2016, Marcus D. Hanwell <
marcus.hanw...@kitware.com> wrote:

> On Wed, Oct 12, 2016 at 1:09 PM, Geoffrey Hutchison
> > wrote:
> >> Geoff has some custom scripts he runs that are not in the build
> >> system, I wasn't able to generate a DMG last time I tried in Avogadro
> >> 1, but as Geoff always made the DMG I didn't look into it much more
> >> deeply.
> >
> > On Mac, with v1 I simply run “make install” and then have a script that
> copies to a DMG. I’m happy to share the DMG template, although it uses a
> non-free tool called “DMG Canvas” (http://www.araelium.com/dmgcanvas) to
> install the pictures, etc. That’s the only reason I haven’t shared - it
> doesn’t seem like a good idea to force people to use that tool.
> >
> This post was just put up too, needs very recent CMake but the
> installer looks good and I think it can all be done with make package.
>
> https://blog.kitware.com/creating-mac-os-x-packages-with-cmake/
>
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Re: [Avogadro-devel] Make Package for Avogadro

2016-10-12 Thread Marcus D. Hanwell
On Wed, Oct 12, 2016 at 1:09 PM, Geoffrey Hutchison
 wrote:
>> Geoff has some custom scripts he runs that are not in the build
>> system, I wasn't able to generate a DMG last time I tried in Avogadro
>> 1, but as Geoff always made the DMG I didn't look into it much more
>> deeply.
>
> On Mac, with v1 I simply run “make install” and then have a script that 
> copies to a DMG. I’m happy to share the DMG template, although it uses a 
> non-free tool called “DMG Canvas” (http://www.araelium.com/dmgcanvas) to 
> install the pictures, etc. That’s the only reason I haven’t shared - it 
> doesn’t seem like a good idea to force people to use that tool.
>
This post was just put up too, needs very recent CMake but the
installer looks good and I think it can all be done with make package.

https://blog.kitware.com/creating-mac-os-x-packages-with-cmake/

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Re: [Avogadro-devel] Make Package for Avogadro

2016-10-12 Thread Geoffrey Hutchison
> Geoff has some custom scripts he runs that are not in the build
> system, I wasn't able to generate a DMG last time I tried in Avogadro
> 1, but as Geoff always made the DMG I didn't look into it much more
> deeply.

On Mac, with v1 I simply run “make install” and then have a script that copies 
to a DMG. I’m happy to share the DMG template, although it uses a non-free tool 
called “DMG Canvas” (http://www.araelium.com/dmgcanvas) to install the 
pictures, etc. That’s the only reason I haven’t shared - it doesn’t seem like a 
good idea to force people to use that tool.

I think plenty of people using a Mac are happy to have a relocatable app in a 
ZIP archive too. For that, you simply zip up /Applications/Avogadro.app once 
it’s finished with “make install”

-Geoff
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Re: [Avogadro-devel] Make Package for Avogadro

2016-10-12 Thread Marcus D. Hanwell
On Tue, Oct 11, 2016 at 4:01 PM, Patrick Avery  wrote:
> Hi there,
>
> I've been working on adding yaehmop features to Avogadro. The work for Dr.
> Jochen Autschbach's class is pretty much complete (they are going to be
> trying it out), and I wanted to package the program on Windows, Mac, and
> Linux. Fortunately, I already know how to do it on Windows.

Windows is the one I know pretty well, and that should work for the most part.
>
> For Linux, after compiling avogadro, you can type "make package" and it will
> create several packages (including a shell script) that can be used to get
> avogadro on your system. Unfortunately, this package does not come with the
> OpenBabel shared libraries, so any action that requires them will fail on a
> system that does not have OpenBabel installed and its resources in the
> $PATH. There isn't some kind of command that will include the OpenBabel
> shared libraries when making the package, is there? I have tried just
> copying the shared object libraries into the directory, and it fixes some
> problems but not all (it doesn't crash saying that it failed to find
> external library functions, but the functions don't exactly work - for
> example, when reading a cif file, it fails and prints that it failed to read
> it).

We never invested any time in getting Linux packaging to work, so I
would be surprised if it worked. We mainly worked with packagers to
try and ensure it was widely packaged.
>
> For Mac (Geoff, you might be able to answer this), you can use the "make
> package" command as well. However, I fear this has the same issue as the
> Linux "make package." I noticed that we have .dmg files that we release for
> Mac builds. How are those created? I assume they include the OpenBabel
> shared libraries and .txt files that are needed for OpenBabel operations.
>
Geoff has some custom scripts he runs that are not in the build
system, I wasn't able to generate a DMG last time I tried in Avogadro
1, but as Geoff always made the DMG I didn't look into it much more
deeply. In Avogadro 2 I got this working within the build system, and
if you turn the flags on it will ensure obabel et al are packaged.

Marcus

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