06:53 Yuri Victorovich (yuri) 

science/ghemical: Fix build by fixing plist

Also correct the dependency list.

Reported by:	fallout

    47b797b

22:10 pawel 

- Upadate biology/mopac to version 1.15
- Bump affected ports
- Switch ports to new mastersite, add LICENSE
- Reformat ports pkg descriptions

PR:		194493
Submitted by:	tkato432@yahoo.com

 

11:04 marino 

science: Fix mpqc, libint and unbreak ghemical, and libghemical atomically

science/ghemical would not link because libghemical.so (from science/
libghemical port) had never been properly linked.  Links to all mpqc "SC"
libraries were added to LDFLAGS to rectify this.  The configure breakage
and solution is described below.

After the version of lang/gcc was bumped from 4.7 to 4.8,
science/libghemical ceased to configure and it was marked broken.  After
recreating the conftest, it was discovered that two versions incompatible
versions of libgcc_s.so were getting pulled in by the realtime linker:
the base version and the gcc48 ports version.

The base version was getting pulled in by science/libint.  To unbreak
libghemical, libint is now built with lang/gcc.  It was necessary to
force libtool to link with LDFLAGS that Mk/bsd.gcc.mk sets so that
the runpaths match across libraries used by libghemical.

When science/mpqc was staged, it utilized libtool which renumbered all
the library versions from 8.0.1 to 7.1.0.  This was caused by the age
component being greater than 0.  By patching configure.in with a new
version, we can generate major SHLIB of 8 again.  While here, fix the
bin/sc-config tool to remove a bad include cflag.

With this fixes, science/ghemical builds successfully.  Bump all 4 of
these ports, remove any BROKEN designation and remove redundant
@dirrm in pkg-plist

 

16:05 amdmi3 

- Stagify
- Fix and optionize NLS

 

10:50 maho 

Update to 3.0.0.

 

09:54 maho 

Update to 2.99.2.

Feature safe:   yes

22:36 maho 

Update to 2.98.

04:39 maho 

Update to 2.10.

07:51 maho 

Update to 2.01

11:20 maho 

fix pkg-plist

Submitted by:   boris

09:02 maho 

- change mirror
- fix http://people.freebsd.org/~fenner/portsurvey/science.html#ghemical

PR:             97833
Submitted by:   Martin Wilke <freebsd@unixfreunde.de>

21:50 maho 

1) some cleanups and enhancements
2) sorry I didn't mention your PR

PR:             63366
Submitted by:   Vladimir I. Chukharev <chu@gpi.ru>

23:00 maho 

update to 1.01 and unbreak

Submitted by:   kris via bento

02:33 maho 

Add new port science/ghemical
a computational chemistry software package