Hi, Attached is an ebuild for the quantum chemistry package GAMESS. GAMESS is a very popular and powerful quantum chemistry code that is widely used in the computational chemistry community. Also attached are 7 very small patches for the GAMESS specific build scripts and wrappers to run the executable. The ebuild should probably go into sci-chemistry. GAMESS currently only compiles on x86. amd64 + gcc look problematic at the moment and according to personal experience, posts on the mailing lists, and AMD, support for amd64 will likely have to wait for >=gcc-4.1.
Created attachment 68403 [details] gamess-05272005.ebuild
Created attachment 68404 [details, diff] patch for main compile script
Created attachment 68405 [details, diff] patch for file specific compile script
Created attachment 68406 [details, diff] patch for linker script
Created attachment 68407 [details, diff] patch for TCP/IP socket code compile script
Created attachment 68408 [details, diff] patch to enable ssh instead of rsh
Created attachment 68409 [details, diff] patch to make test-file script run out of the box
Created attachment 68410 [details, diff] patch for executable wrapper script
Created attachment 68419 [details, diff] GAMESS license GAMESS is licensed under its own license.
Comment on attachment 68419 [details, diff] GAMESS license GAMESS User License Agreement All GAMESS requestors MUST agree to the following license aggrement which covers all versions of GAMESS (source code, and binaries for Windows, Macintosh and ChemOffice). With regard to the ab initio quantum chemistry code GAMESS, together with its associated graphics and utility programs, with which you have supplied me a copy, I agree to the following conditions: 1. I will not supply a copy of the code to anyone outside my institution or corporation for any reason whatsoever. Instead, I will refer any requests for copies of the program to you at ISUQCG. This in no way limits my making of copies of the code for backup purposes, or for running on more than one computer system at my institution or home. 2. I understand that copyright or ownership rights to GAMESS are retained by ISUQCG and contributors to the GAMESS package. I will not incorporate any part of GAMESS into any other program system, either for sale or for non-profit distribution, without written permission from ISUQCG, 3. I understand that no large program such as GAMESS can be considered to be bug free, and accordingly the ISUQCG supplies the GAMESS software on an "as is" basis, with no additional responsibility or liability, 4. If results obtained with GAMESS are published in the scientific literature, I will reference the program from the article M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.J.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J. Comput. Chem. 14, 1347-1363 (1993). Using specific methods included in GAMESS may require citing additional articles, as described in the manual. I agree to honor the request to cite additional papers, as appropriate. 5. This license is considered a "Research Group" license. Thus anyone directly associated with your research group is covered by the license and may share your copy of GAMESS on all of your group's computer resources.
Created attachment 68420 [details, diff] properly formated GAMESS license Sorry for the mess and please disregard the previous post. I accidentally pressed the wrong button :(
In Portage. Many thanks for your work, Markus.
