Commit Graph

33 Commits

Author SHA1 Message Date
Greg Landrum
45bf58754a Cleanup some cmake dependencies (#3077)
* change minimal cmake version to a consistent 3.5

* progress towards a cleanup

* get the basic python deps working

* two more libs

* another round of changes
all tests pass at this point

* next round of changes
all tests pass at this point

* close to done
all tests pass

* very close

* almost done

* shift the RDBoost dependencies around a bit

* remove an extraneous python linkage
this is trying to get the mac builds working again

* Only link to python if it was built shared (#3091)

* change in response to review

Co-Authored-By: Ric <ricrogz@users.noreply.github.com>

* move that suppression of the maybe-uninitialized warning to BoostStartInclude.h

Co-authored-by: Brian Kelley <fustigator@gmail.com>
Co-authored-by: Ric <ricrogz@users.noreply.github.com>
2020-04-17 14:34:23 +02:00
Greg Landrum
d41752d558 run clang-tidy with readability-braces-around-statements (#2899)
* run clang-tidy with readability-braces-around-statements
clang-format the results
clean up all the parts that clang-tidy-8 broke

* fix problem on windows
2020-01-25 14:19:32 +01:00
Greg Landrum
ec366c1ab7 Dev/pvs studio cleanups2 (#2877)
* a round of cleanups courtesy of PVS studio

* add a test to make sure that a warning is a false alarm

* bug fix

* Fix a UFF bug

* more PVS studio cleanups

* next round of PVS studio cleanups

* completely remove the chances for that bug

* changes in response to review

* add an additional test
+ a bit of reformatting that snuck in
2020-01-22 15:10:58 +01:00
Greg Landrum
7c0bb0b743 clang-tidy output 2017-04-22 17:09:24 +02:00
Greg Landrum
79e1f8b1fa compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10 2015-11-28 06:49:34 +01:00
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Greg Landrum
e37296d7c7 post review 2015-11-14 08:08:14 +01:00
Brian Kelley
5f59333a56 Silences unused parameters 2015-10-18 14:02:29 -04:00
Riccardo Vianello
3358ec5925 initial set of changes introducing python3 support 2014-06-17 18:26:41 +02:00
Greg Landrum
334aada835 merge 2014-03-28 04:56:21 -04:00
Greg Landrum
800770a1df fix github issue 18 2013-04-16 11:22:03 +00:00
Greg Landrum
b993f89afe remove the bjam-based build system 2010-09-27 03:54:07 +00:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +00:00
Greg Landrum
052ec66542 cleanups:
remove x bit from headers and sources;
remove a couple empty files from Code/GraphMol
2010-09-08 04:25:57 +00:00
Greg Landrum
53485592ca builds on windows with visual studio; need to pass back to linux now 2009-10-01 13:35:48 +00:00
Greg Landrum
76297b0fff builds and passes tests on linux 2009-09-28 11:02:18 +00:00
Greg Landrum
f0b288cfed big changes again (repeat the 979, 980 disaster on the correct branch) 2009-02-04 20:13:44 +00:00
Greg Landrum
2580fbaaa2 this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out 2008-11-15 17:14:13 +00:00
Greg Landrum
0edcaa0f0c passes tests on 64bit linux 2008-10-27 10:04:34 +00:00
Greg Landrum
5352348aa3 all tests should now pass (at least on linux) 2008-10-27 08:29:09 +00:00
Greg Landrum
131e85e99a fix some problems with variable quantization 2008-10-15 16:26:57 +00:00
Greg Landrum
dc362af94b plug (at least partially) the leaks from sf.net issue 2152622 2008-10-08 05:05:49 +00:00
Greg Landrum
a8ea9cba40 Clean up includes so that this might build with the gcc 4.3 series.
This still needs to be tested on win.
2008-08-05 19:48:21 +00:00
Greg Landrum
ac5a7d72c7 these are no longer needed 2008-07-07 06:36:34 +00:00
Greg Landrum
c9eb4e91e1 merge revs 736:741 from branch http://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/NumPyPort_27June2008
This removes the numeric python dependency and switches to relying on numpy.
current status of tests from branch: pass on lin32 and 64 and win32.
2008-07-05 07:42:38 +00:00
Greg Landrum
26a4124ad9 remove files for old build system 2008-02-20 17:06:59 +00:00
Greg Landrum
7dfdc04185 another pass for getting things properly working on windows 2008-02-08 06:26:38 +00:00
Greg Landrum
430a83bd96 merge in the jamfiles from the bjam branch;
various and sundry minor code cleanups;
this probably does not yet build on windows... that is next
2007-11-23 15:55:30 +00:00
Greg Landrum
51281d3234 this was not linking correctly 2007-11-05 06:30:31 +00:00
Greg Landrum
47d47a49d3 remove vestiges of old windows build system 2007-07-31 17:09:53 +00:00
Greg Landrum
8a19c38e21 - Get windows debug builds working
- Remove requirement that boost be in $RDBASE/External on windows (the BOOSTHOME environment variable is now required)
- fix dependencies

This builds on windows in debug mode now and most tests pass. There's a problem with PySVD in debug mode and for some reason the rdAlignments wrapper test fails; but these don't seem super important.

https://sourceforge.net/tracker/index.php?func=detail&aid=1485703&group_id=160139&atid=814650
2006-05-11 00:42:39 +00:00
Greg Landrum
31b53a96d2 clean up some legacy cruft 2006-05-08 15:21:24 +00:00
Greg Landrum
75a79b6327 initial import 2006-05-06 22:20:08 +00:00