| Commit message (Expand) | Author | Age | Files | Lines |
* | sci-chemistry/nmrglue: add 0.9 | ![](//www.gravatar.com/avatar/1211c489de44db2f60c5b44af2648e71?s=13&d=retro) Andrew Ammerlaan | 2022-10-05 | 2 | -0/+32 |
* | sci-chemistry/chemex: Use PEP517 build | ![](//www.gravatar.com/avatar/ff5429ef741b434eb2011692832f810e?s=13&d=retro) Michał Górny | 2022-09-18 | 2 | -19/+7 |
* | sci-chemistry/chemex: add 2022.0.1 | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-09-18 | 2 | -0/+49 |
* | sci-chemistry/chemex: Revert "add 2022.0.1" | ![](//www.gravatar.com/avatar/ff5429ef741b434eb2011692832f810e?s=13&d=retro) Michał Górny | 2022-09-18 | 2 | -49/+0 |
* | sci-chemistry/chemex: add 2022.0.1 | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-09-18 | 2 | -0/+49 |
* | sci-chemistry/gromacs: add 2021.6 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-09-15 | 2 | -0/+358 |
* | sci-chemistry/gromacs: add 2022.3, drop 2022.1 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-09-15 | 2 | -4/+4 |
* | sci-chemistry/avogadro2: add 1.97.0 | ![](//www.gravatar.com/avatar/1211c489de44db2f60c5b44af2648e71?s=13&d=retro) Andrew Ammerlaan | 2022-09-07 | 2 | -0/+84 |
* | sci-chemistry/dssp: remove stale boost lower bounds | ![](//www.gravatar.com/avatar/ad749c7d33947840e611b0e18be937fa?s=13&d=retro) David Seifert | 2022-09-04 | 2 | -2/+2 |
* | sci-chemistry/dssp: remove boost[threads(+)] usedep | ![](//www.gravatar.com/avatar/ad749c7d33947840e611b0e18be937fa?s=13&d=retro) David Seifert | 2022-09-04 | 4 | -6/+6 |
* | sci-chemistry/autodock_vina: remove boost[threads(+)] usedep | ![](//www.gravatar.com/avatar/ad749c7d33947840e611b0e18be937fa?s=13&d=retro) David Seifert | 2022-09-04 | 1 | -2/+2 |
* | sci-chemistry/molmol: fix MissingUseDepDefault | ![](//www.gravatar.com/avatar/786f3a957bcc3a8d19160e824fc64b8e?s=13&d=retro) Sam James | 2022-09-01 | 1 | -5/+8 |
* | sci-chemistry/molden: Stabilize 6.9-r1 amd64, #867223 | ![](//www.gravatar.com/avatar/d5972a8e23045ac76b1639bd3bb50f5c?s=13&d=retro) Jakov Smolić | 2022-08-30 | 1 | -1/+1 |
* | sci-chemistry/surf: Stabilize 1.0 amd64, #867223 | ![](//www.gravatar.com/avatar/d5972a8e23045ac76b1639bd3bb50f5c?s=13&d=retro) Jakov Smolić | 2022-08-30 | 1 | -2/+2 |
* | sci-chemistry/numbat: treeclean | ![](//www.gravatar.com/avatar/d5972a8e23045ac76b1639bd3bb50f5c?s=13&d=retro) Jakov Smolić | 2022-08-29 | 4 | -118/+0 |
* | sci-chemistry/pymol: add github upstream metadata | ![](//www.gravatar.com/avatar/786f3a957bcc3a8d19160e824fc64b8e?s=13&d=retro) Sam James | 2022-07-31 | 1 | -10/+11 |
* | sci-chemistry/mdtraj: add github upstream metadata | ![](//www.gravatar.com/avatar/786f3a957bcc3a8d19160e824fc64b8e?s=13&d=retro) Sam James | 2022-07-30 | 1 | -4/+7 |
* | sci-chemistry/molsketch: do not rdep on linguist-tools | ![](//www.gravatar.com/avatar/1211c489de44db2f60c5b44af2648e71?s=13&d=retro) Andrew Ammerlaan | 2022-07-21 | 1 | -1/+1 |
* | sci-chemistry/molden: install sci-chemistry/surf instead of bundled one | ![](//www.gravatar.com/avatar/086821e29bf6b1de4cbf07438d719f9a?s=13&d=retro) Petr Vaněk | 2022-07-16 | 1 | -10/+6 |
* | sci-chemistry/propka: drop 3.2.0 | ![](//www.gravatar.com/avatar/1211c489de44db2f60c5b44af2648e71?s=13&d=retro) Andrew Ammerlaan | 2022-07-06 | 2 | -41/+0 |
* | sci-chemistry/propka: add 3.4.0 | ![](//www.gravatar.com/avatar/1211c489de44db2f60c5b44af2648e71?s=13&d=retro) Andrew Ammerlaan | 2022-07-06 | 3 | -0/+30 |
* | sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388 | ![](//www.gravatar.com/avatar/7c3755d199857c933a5213fe17c3e9db?s=13&d=retro) Arthur Zamarin | 2022-07-06 | 1 | -1/+1 |
* | sci-chemistry/dssp: Keyword 3.0.11 arm64, #856388 | ![](//www.gravatar.com/avatar/7c3755d199857c933a5213fe17c3e9db?s=13&d=retro) Arthur Zamarin | 2022-07-06 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Update 9999 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 1 | -1/+2 |
* | sci-chemistry/gromacs: arm was dropped upstream since 2022.x | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 3 | -3/+6 |
* | sci-chemistry/gromacs: eneble py3.11 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 4 | -4/+4 |
* | sci-chemistry/gromacs: enable py3.11 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 2 | -2/+2 |
* | sci-chemistry/gromacs: enable py3.11 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 1 | -1/+1 |
* | sci-chemistry/gromacs: enable py3.11 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 1 | -1/+1 |
* | sci-chemistry/gromacs: drop 2022 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 2 | -338/+0 |
* | sci-chemistry/gromacs: add 2022.2 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-07-04 | 2 | -0/+338 |
* | sci-chemistry/molequeue: enable py3.10, py3.11 and disable py3.7 | ![](//www.gravatar.com/avatar/1211c489de44db2f60c5b44af2648e71?s=13&d=retro) Andrew Ammerlaan | 2022-06-15 | 1 | -4/+8 |
* | sci-chemistry/votca: x86 stable wrt bug #846386 | ![](//www.gravatar.com/avatar/ffd3ec5554c5bffa647e2bf8ae171e68?s=13&d=retro) Agostino Sarubbo | 2022-06-13 | 1 | -1/+1 |
* | sci-chemistry/votca: amd64 stable wrt bug #846386 | ![](//www.gravatar.com/avatar/ffd3ec5554c5bffa647e2bf8ae171e68?s=13&d=retro) Agostino Sarubbo | 2022-06-12 | 1 | -1/+1 |
* | sci-chemistry/openbabel: fix build with GCC 12 | ![](//www.gravatar.com/avatar/786f3a957bcc3a8d19160e824fc64b8e?s=13&d=retro) Sam James | 2022-06-12 | 2 | -0/+36 |
* | sci-chemistry/molsketch: drop 0.4.1-r1 | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-06-09 | 3 | -72/+0 |
* | sci-chemistry/molsketch: Needs to be rebuilt with openbabel subslot changes | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-06-09 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Keyword 2022.1 arm, #834865 | ![](//www.gravatar.com/avatar/786f3a957bcc3a8d19160e824fc64b8e?s=13&d=retro) Sam James | 2022-06-02 | 1 | -1/+1 |
* | sci-chemistry/dssp: Keyword 3.0.11 arm, #834865 | ![](//www.gravatar.com/avatar/786f3a957bcc3a8d19160e824fc64b8e?s=13&d=retro) Sam James | 2022-06-02 | 1 | -2/+2 |
* | sci-chemistry/pymol: Fix desktop file, LICENSE and restrict values | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-05-22 | 1 | -0/+98 |
* | sci-chemistry/vmd: drop 1.9.4_alpha51 | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-05-20 | 2 | -271/+0 |
* | sci-chemistry/vmd: add 1.9.4_alpha57 | ![](//www.gravatar.com/avatar/62f8ca529bbf9ee9aa3c1b4bf6619d17?s=13&d=retro) Pacho Ramos | 2022-05-20 | 2 | -0/+271 |
* | sci-chemistry/openbabel: [QA] use tc-check-openmp correctly | ![](//www.gravatar.com/avatar/ad749c7d33947840e611b0e18be937fa?s=13&d=retro) David Seifert | 2022-05-16 | 2 | -2/+10 |
* | sci-chemistry/tinker: [QA] tc-has-openmp → tc-check-openmp | ![](//www.gravatar.com/avatar/ad749c7d33947840e611b0e18be937fa?s=13&d=retro) David Seifert | 2022-05-14 | 1 | -2/+7 |
* | sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmp | ![](//www.gravatar.com/avatar/ad749c7d33947840e611b0e18be937fa?s=13&d=retro) David Seifert | 2022-05-14 | 12 | -36/+33 |
* | sci-chemistry/gromacs: dropped unused eclass | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-04-28 | 2 | -2/+2 |
* | sci-chemistry/gromacs: add 2022.1 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-04-28 | 2 | -0/+339 |
* | sci-chemistry/gelemental: add 2.0.1 | ![](//www.gravatar.com/avatar/bd7d4a4adfa53f9f0bb57eb7b45de126?s=13&d=retro) Matthias Maier | 2022-04-24 | 3 | -0/+67 |
* | sci-chemistry/openbabel: Resurect opebabel[python] | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-04-15 | 1 | -0/+104 |
* | sci-chemistry/modeller: enable py3.10 | ![](//www.gravatar.com/avatar/e1fa7c8d56f69af6fa8480d5bf95fdd9?s=13&d=retro) Alexey Shvetsov | 2022-04-08 | 1 | -3/+3 |