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16 Commits

Author SHA1 Message Date
Thomas Holder
e638e08f23 Fix build error in Pool.__del__ (#260) 2022-10-05 14:37:10 -04:00
Thomas Holder
0562e1ec18 Fix GCC 4.8 and Intel Compiler support 
- Fix `pymol::string_format` with `pymol::zstring_view`
- Skip `std::is_trivially_copyable` for GCC 4.8
- Eliminate some compiler warnings

Closes https://github.com/schrodinger/pymol-open-source/issues/163
 2021-02-01 12:38:43 +01:00
Thomas Holder
4fc2af3198 fix #80 clang: remove -fno-semantic-interposition 2020-02-26 19:17:06 +01:00
Thomas Holder
3801b76557 macOS build: strip non-existing -isysroot 2019-11-27 13:17:12 +01:00
Thomas Holder
d24e91b6da improve incremental builds 
- track headers
- support distutils._msvccompiler
 2019-09-04 18:54:28 +02:00
Thomas Holder
e94cc82f8e UnixCCompiler: Add support for -MMD 
CPPFLAGS="-MMD" python setup.py install
 2019-06-07 16:22:49 +02:00
Thomas Holder
1fe652c0bf setup.py: handle DEBUG in build_ext 2019-05-16 08:56:06 +02:00
Thomas Holder
c626712f85 clang/Linux: workaround for -flto argument errors 2018-11-15 15:54:37 +01:00
Thomas Holder
f21c61958e Graphics refactoring, ported from Incentive PyMOL 2018-07-03 20:19:12 +02:00
Thomas Holder
0629165364 patches/12, bugs/148 
- web.pymolhttpd -> pymol.pymolhttpd
  Generic "web" name conflicts with webpy
  https://sf.net/p/pymol/bugs/148/
- make build reproducible
  https://sf.net/p/pymol/patches/12/
- delete obsolete packaging files
- internal command line: consistent behavior across platforms
 2017-07-03 13:10:23 +00:00
Thomas Holder
2930efa152 1.8.5.0 (unstable/experimental) 
* avoid selection keyword name conflicts, append underscore
* load: allow format=plugin (by extension) and format=plugin:PLUGIN (with PLUGIN being a molfile plugin identifier)
* load format "vdb": VIPERdb PDB variant with retain_order=1
* load/load_traj: guess trajectory object
* fetch
    * new setting "fetch_type_default"
    * type=mmtf: fetch MMTF format
    * type=2fofc/fofc: get spacegroup from PDBe API
    * update download URLs
* new setting: editor_auto_measure
* new default: ray_transparency_oblique_power=4.0
* "update" command: support "current state" (-1)
* alter elem -> update protons and vdw
* don't allow "import cmd" (corrupts PyMOL namespace)
* support "python -m pymol" to launch PyMOL
 2016-12-05 19:04:04 +00:00
Thomas Holder
b3472cbace ignore_case_chain, cartoon_gap_cutoff, ... 
* restore ignore_case=on default
* new setting: ignore_case_chain (default off)
* new setting: cartoon_gap_cutoff
* increase PYMOL_MAX_THREADS
* amber topology loading: bond order 1 for all bonds
* improve MOL2 file handling
* new grid_mode=3: grid per object-state
 2016-02-08 15:59:56 +00:00
Thomas Holder
2d45a2d7ca Python 3 compatibility 
Tested with Python 2.6, 2.7, 3.4
 2015-12-09 17:01:32 +00:00
Thomas Holder
b3671875f1 backport to pre-c++11 for OS X <= 10.8 2015-11-12 00:10:37 +00:00
Thomas Holder
13abb9fa2e fix building on CentOS 6.3 / python2.6 / gcc 4.4.7 2015-08-13 11:23:04 +00:00
Thomas Holder
7452ac469b 1.7.7.2 
* cif_keepinmemory, pymol.querying.cif_get_array (experimental)
* ramp_update (new command)
* ramp objects now have "A > Range > ..." and "C > ..." menus
* mmCIF _chem_comp_atom: skip atoms with missing coordinates, prefer ideal over model coordinates
* cmd.set_key() decorator support
 2015-08-12 16:45:05 +00:00