[med-svn] [pdb2pqr] 01/01: add networkx to d/control and test dependencies, mention in README.test
Tatiana Malygina
latticetower-guest at moszumanska.debian.org
Wed Jun 15 17:59:53 UTC 2016
This is an automated email from the git hooks/post-receive script.
latticetower-guest pushed a commit to branch master
in repository pdb2pqr.
commit c8948eb55e737fdca74cc689c3a103f3a8a7d33b
Author: latticetower-guest <merlettaia at gmail.com>
Date: Wed Jun 15 20:59:00 2016 +0300
add networkx to d/control and test dependencies, mention in README.test
---
debian/README.test | 4 ++++
debian/changelog | 1 +
debian/control | 3 ++-
debian/tests/control | 6 +++++-
4 files changed, 12 insertions(+), 2 deletions(-)
diff --git a/debian/README.test b/debian/README.test
index 915a3ad..2872bbb 100644
--- a/debian/README.test
+++ b/debian/README.test
@@ -11,6 +11,7 @@ If you have both pdb2pqr and pdb2pqr-doc packages installed, you can test their
installation by executing
sh ligands-test
+ sh pdb2pka-test
During data processing, pdb2pqr can write multiple warning messages to stderr.
This output means that PDB file contains erranous data, which could be repaired
@@ -29,6 +30,9 @@ Possible PDB IDs can be found in RCSB PDB database [1] and other sources.
To see other options, call `pdb2pqr` without parameters or with `-h` key.
+When --ph-calc-method=pdb2pka is used, package requires python networkx library
+to be installed. Test `pdb2pka-test` passes only if this library is installed.
+
References:
[1]: RCSB PDB database (one of the possible sources of .pdb files)
diff --git a/debian/changelog b/debian/changelog
index 53c73e7..9b17490 100644
--- a/debian/changelog
+++ b/debian/changelog
@@ -10,6 +10,7 @@ pdb2pqr (2.1.1+dfsg-2) UNRELEASED; urgency=medium
in testsuite), updated d/docs
* fixed `pdb2pqr-test` - now should work ok (haven't checked with apbs yet)
* add patch to remove debug-file-with-no-debug-symbols warning (turn on debug)
+ * add networkx to d/control and test dependencies, mention in README.test
-- Tatiana Malygina <merlettaia at gmail.com> Mon, 13 Jun 2016 15:31:19 +0000
diff --git a/debian/control b/debian/control
index 991f041..ee91fc0 100644
--- a/debian/control
+++ b/debian/control
@@ -25,7 +25,8 @@ Architecture: any
Depends: ${shlibs:Depends},
${misc:Depends},
${python:Depends},
- python-numpy
+ python-numpy,
+ python-networkx
Suggests: apbs
Enhances: autodocktools
Provides: propka
diff --git a/debian/tests/control b/debian/tests/control
index c9e4ae8..72263de 100644
--- a/debian/tests/control
+++ b/debian/tests/control
@@ -2,6 +2,10 @@ Tests: installation-test
Depends: pdb2pqr
Restrictions: allow-stderr
-Tests: ligands-test, pdb2pka-test
+Tests: ligands-test
Depends: @
Restrictions: allow-stderr
+
+Tests: pdb2pka-test
+Depends: @, python-networkx
+Restrictions: allow-stderr
--
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