Santosh Putta
590c4cea9d
Fix and test for Issue 1526844
2006-07-24 16:54:15 +00:00
Greg Landrum
a5d7fc550a
try to get ChemTransforms checked in
2006-07-18 05:35:12 +00:00
Greg Landrum
81f341882e
try to get ChemTransforms checked in
2006-07-18 05:33:58 +00:00
Greg Landrum
fe8150a3aa
fix a windows build problem
2006-06-16 01:17:06 +00:00
Greg Landrum
087132797e
rename Clustering.c -> Clustering.cpp
2006-06-16 01:16:28 +00:00
Greg Landrum
6ea9c1653a
added
2006-06-14 12:42:07 +00:00
Greg Landrum
9cd2107d5c
sync with repos r5237
2006-06-13 21:41:46 +00:00
Greg Landrum
052da85bc4
sync with repos r5237
2006-06-13 21:41:36 +00:00
Greg Landrum
4ed3a58786
- add some docs
...
- make file formats alphabetical
- rename getMolPicture() -> setMolPicture() and update our molecule when calling it
- rename activeMol -> activeMolData
2006-05-31 16:54:52 +00:00
Greg Landrum
ce04419b24
added
2006-05-29 15:25:56 +00:00
Greg Landrum
14205d54d7
sync with main RD repository; r5201
2006-05-23 00:10:37 +00:00
Greg Landrum
1639fcb6e9
create a version that actually works (for me). Other users will need to change the SMTP hostname
2006-05-11 18:21:52 +00:00
Greg Landrum
3df7c30a9c
if we're going to include RDBuild in setup.py, we need to adjust for the fact that the compiler will be g++, so the external stuff needs to be explicitly marked as being in C
2006-05-11 17:56:20 +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
62025a1d61
RDBuild really should be imported.
2006-05-11 00:12:55 +00:00
Greg Landrum
39d137575a
fix bug 1485710
...
https://sourceforge.net/tracker/?func=detail&atid=814650&aid=1485710&group_id=160139
2006-05-10 15:59:53 +00:00
Greg Landrum
6f65074376
generate directories with newer doxygen
2006-05-10 13:40:26 +00:00
Greg Landrum
b87de75d56
get g++ out of the makefiles... use CXX instead
2006-05-09 23:20:26 +00:00
Greg Landrum
8853a347f5
seems to be working now
2006-05-08 22:21:01 +00:00
Greg Landrum
3c386914bd
clear a typo
2006-05-08 20:23:22 +00:00
Greg Landrum
47695fa0d2
script cleanup
2006-05-08 19:53:40 +00:00
Greg Landrum
f3b0791b95
script cleanup
2006-05-08 19:51:32 +00:00
Greg Landrum
31b53a96d2
clean up some legacy cruft
2006-05-08 15:21:24 +00:00
Greg Landrum
9467ffbb61
make directory structure of python documentation a bit more rational
2006-05-08 14:27:23 +00:00
Greg Landrum
5d03333c22
setup svn keywords (should have done this before import... grn)
2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
