Log of /wnpp/aces2

---

Revision 3038 - Directory Listing
Modified Sun Oct 9 16:50:55 2011 UTC (20 months, 1 week ago) by mbanck

Fix typo in short description

---

Revision 3037 - Directory Listing
Modified Sun Oct 9 13:48:12 2011 UTC (20 months, 1 week ago) by mbanck

Also modify the molden output to look for GENBAS in /usr/share/aces2

---

Revision 3010 - Directory Listing
Modified Thu Sep 22 20:09:08 2011 UTC (20 months, 4 weeks ago) by mbanck

Add bug tag

---

Revision 3005 - Directory Listing
Modified Tue Sep 20 07:47:01 2011 UTC (21 months ago) by mbanck

Include testsuite GNUmakefile from aces2-2.7.0 and link it in for dh_override_auto_test

---

Revision 3004 - Directory Listing
Modified Mon Sep 19 22:04:47 2011 UTC (21 months ago) by mbanck

Fix up lb directory handling some more

---

Revision 3002 - Directory Listing
Modified Mon Sep 19 21:54:37 2011 UTC (21 months ago) by mbanck

Link in GENBAS and ECPDATA from debian directory

---

Revision 3001 - Directory Listing
Modified Mon Sep 19 21:54:14 2011 UTC (21 months ago) by mbanck

Removed aces3 from Build-Depends

---

Revision 3000 - Directory Listing
Modified Mon Sep 19 21:52:54 2011 UTC (21 months ago) by mbanck

New file, taken from aces3_3.0.6 original tarball

---

Revision 2999 - Directory Listing
Modified Mon Sep 19 21:52:07 2011 UTC (21 months ago) by mbanck

New file, taken from aces2_2.7.0 original tarball

---

Revision 2998 - Directory Listing
Modified Mon Sep 19 21:49:11 2011 UTC (21 months ago) by mbanck

Fix up lb directory handling

---

Revision 2997 - Directory Listing
Modified Mon Sep 19 21:34:46 2011 UTC (21 months ago) by mbanck

Add full path to aces2 executable

---

Revision 2996 - Directory Listing
Modified Mon Sep 19 21:34:08 2011 UTC (21 months ago) by mbanck

 * debian/rules: Move away lb directory before build except for dsum source, and reverse on clean

---

Revision 2995 - Directory Listing
Modified Mon Sep 19 21:32:49 2011 UTC (21 months ago) by mbanck

 * debian/control (Build-Depends): Added libblas-dev and libblapack-dev.

---

Revision 2994 - Directory Listing
Modified Mon Sep 19 21:32:16 2011 UTC (21 months ago) by mbanck

 * debian/patches/makeflags.patch: Add blas and lapack libraries to LDFLAGS_NUMLIBS

---

Revision 2993 - Directory Listing
Modified Mon Sep 19 21:24:41 2011 UTC (21 months ago) by mbanck

New patch, fix geometry optimization which aborted after the first round

---

Revision 2992 - Directory Listing
Modified Mon Sep 19 21:23:54 2011 UTC (21 months ago) by mbanck

Define empty STRIP variable in order not to strip binaries/libraries by default. Define sane CFLAGS/FFLAGS (-g -O2 -Wall) and remove FLAG_OPTIMZE

---

Revision 2991 - Directory Listing
Modified Mon Sep 19 15:42:21 2011 UTC (21 months ago) by mbanck

New files

---

Revision 2990 - Directory Listing
Modified Sun Sep 18 23:05:43 2011 UTC (21 months ago) by mbanck

Added override_dh_auto_install target

---

Revision 2989 - Directory Listing
Modified Sun Sep 18 23:05:00 2011 UTC (21 months ago) by mbanck

Port GENBAS part of default_directories.patch from aces3 package

---

Revision 2988 - Directory Listing
Modified Sun Sep 18 22:54:49 2011 UTC (21 months ago) by mbanck

Initial checkin

---

Revision 2987 - Directory Listing
Modified Sun Sep 18 22:53:57 2011 UTC (21 months ago) by mbanck

Added aces3 (for basis sets) and removed linear algebra/MPI libraries

---

Revision 2986 - Directory Listing
Modified Sun Sep 18 22:52:48 2011 UTC (21 months ago) by mbanck

Added dh_override_auto_test target

---

Revision 2985 - Directory Listing
Modified Sun Sep 18 21:42:22 2011 UTC (21 months ago) by mbanck

Remove -malign-double from compiler flags

---

Revision 2984 - Directory Listing
Modified Sun Sep 18 21:34:43 2011 UTC (21 months ago) by mbanck

Expclitly state PARALLEL=0 and skip mrcc.src by setting TREES to empty

---

Revision 2983 - Directory Listing
Modified Sun Sep 18 21:33:29 2011 UTC (21 months ago) by mbanck

Fix patch

---

Revision 2982 - Directory Listing
Modified Sun Sep 18 21:32:51 2011 UTC (21 months ago) by mbanck

Remove skip_mrcc_directory.patch again, not needed

---

Revision 2981 - Directory Listing
Modified Sun Sep 18 20:39:38 2011 UTC (21 months ago) by mbanck

Update

---

Revision 2980 - Directory Listing
Modified Sun Sep 18 20:38:32 2011 UTC (21 months ago) by mbanck

Link in another .com file

---

Revision 2979 - Directory Listing
Modified Sun Sep 18 20:37:14 2011 UTC (21 months ago) by mbanck

Update

---

Revision 2978 - Directory Listing
Modified Sun Sep 18 15:36:27 2011 UTC (21 months ago) by mbanck

 * debian/rules (dh_override_auto_configure): Link some .com files into include as they are required by oeptools

---

Revision 2977 - Directory Listing
Modified Sun Sep 18 15:10:55 2011 UTC (21 months ago) by mbanck

Added an override_dh_auto_configure target and moved xprep/link-fixage to it

---

Revision 2976 - Directory Listing
Modified Sun Sep 18 15:07:46 2011 UTC (21 months ago) by mbanck

Update makeflags.patch

---

Revision 2975 - Directory Listing
Modified Sun Sep 18 15:06:12 2011 UTC (21 months ago) by mbanck

Remove generated GNUmakefile{,.src} from debian/ and fix link fixing

---

Revision 2974 - Directory Listing
Modified Sun Sep 18 14:36:36 2011 UTC (21 months ago) by mbanck

Overhaul

---

Revision 2973 - Directory Listing
Modified Sun Sep 18 14:35:46 2011 UTC (21 months ago) by mbanck

New file

---

Revision 2972 - Directory Listing
Modified Sun Sep 18 13:38:54 2011 UTC (21 months ago) by mbanck

Initial checkin

---

Revision 2971 - Directory Listing
Added Sun Sep 18 13:36:03 2011 UTC (21 months ago) by mbanck

New package