apbs-1.1.0-1

[howarth@…]

MacPort packaging for apbs-1.1.0-1 with python support enabled.

[howarth@…]

To test apbs in pymol, execute the following steps after install the apbs package...

cp /opt/local/lib/pymol/data/tut/1hpv.pdb . pymol Select the File->Open menu item and select the copy of 1hpv.pdb. Select the Plugins->APBS Tools... menu item Click on the "Set grid" button in the Pymol APBS Tools window. Click on the "Run APBS" button in the Pymol APBS Tools window. Wait for the apbs run to complete at which point the buttons in the APBS Tools window will work again. Select the VIsualization tab in the Pymol APBS Tools window and click the Update button. Click the Show button under the Molecular Surface section of the Visualization panel.

[nerdling (Jeremy Lavergne)]

Have you considered using the python26 port group?

You can then use variables from within it in your patch (e.g. ${python.bin}-config). It might also handle some of the build/destroot functionality you've coded.

${prefix}/var/macports/sources/rsync.macports.org/release/ports/_resources/port1.0/group/python26-1.0.tcl

[mf2k (Frank Schima)]

Revised portfile

[mf2k (Frank Schima)]

I made some fixes to the portfile, but I see the following error:

--->  Building apbs
Error: Target org.macports.build returned: shell command " cd "/opt/local/var/macports/build/_opt_local_var_macports_sources_svn.macports.org_trunk_dports_science_apbs/work/apbs-1.1.0-source" && make all " returned error 2
Command output: make: *** No rule to make target `all'.  Stop.

Error: Status 1 encountered during processing.

[mf2k (Frank Schima)]

Cc Me!

[howarth@…]

You removed...

use_configure yes

[mf2k (Frank Schima)]

Heh, some fix eh? I added it back but now I see this error (also with the original portfile).

--->  Staging apbs into destroot
Error: Target org.macports.destroot returned: shell command "cd /opt/local/var/macports/build/_opt_mports_trunk_dports_science_apbs/work/apbs-1.1.0-source; make install DESTDIR=/opt/local/var/macports/build/_opt_mports_trunk_dports_science_apbs/work/destroot INSTALL='install -p' CPPROG='cp -p'" returned error 2
Command output: Making install in opal
Making install in ZSI
Making install in .
make[5]: Nothing to be done for `install-exec-am'.
mkdir -p @INSTALL_DIR@/opt/local/Library/Frameworks/Python.framework/Versions/2.6/lib/python2.6/site-packages
/opt/local/Library/Frameworks/Python.framework/Versions/2.6/bin/python2.6 setup.py install --prefix=@INSTALL_DIR@/opt/local
running install
Checking .pth file support in @INSTALL_DIR@/opt/local/lib/python2.6/site-packages/
error: can't create or remove files in install directory

The following error occurred while trying to add or remove files in the
installation directory:

    [Errno 2] No such file or directory: '@INSTALL_DIR@/opt/local/lib/python2.6/site-packages/test-easy-install-43824.pth'

The installation directory you specified (via --install-dir, --prefix, or
the distutils default setting) was:

    @INSTALL_DIR@/opt/local/lib/python2.6/site-packages/

This directory does not currently exist.  Please create it and try again, or
choose a different installation directory (using the -d or --install-dir
option).

make[5]: *** [install-data-local] Error 1
make[4]: *** [install-am] Error 2
make[3]: *** [install-recursive] Error 1
make[2]: *** [install-recursive] Error 1
make[1]: *** [install-recursive] Error 1
make: *** [install-recursive] Error 1

Error: Status 1 encountered during processing.

[howarth@…]

depends_lib on currently missing py26-zsi package

[howarth@…]

reduced patch

[howarth@…]

reduced patch

[howarth@…]

Try the updated Portfile and apbs.diff.
You will need to create a local copy of a py26-zsi package
from the existing py25-zsi package (renaming and editing for the 26 release).

[mf2k (Frank Schima)]

py26-zsi added in r59805.

[mf2k (Frank Schima)]

apbs added in r59806. Thanks! I incorporated my changes to the portfile.

[howarth@…]

Actually we can reduce the python build a bit more since only ApbsClient.py is provided by apbs. The remaining files were from contrib's ZSI.

[howarth@…]

Oh, it looks like we do need the wsdl files. However we should be correcting ApbsClient.py.in.

[howarth@…]

corrected reduced Portfile diff

[mf2k (Frank Schima)]

I committed your changes in r61626.