| Commit message (Collapse) | Author | Age | Files | Lines | |
|---|---|---|---|---|---|
| * | sci-chemistry/gromacs: drop versions |   Alexey Shvetsov | 2023-01-30 | 6 | -1646/+0 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.6 arm, #887555 |   Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2020.7 arm, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2019.6-r2 arm, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.6 x86, #887555 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2020.7 x86, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2020.7 amd64, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2019.6-r2 x86, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2019.6-r2 amd64, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gnome-chemistry-utils: Fix dependency |   Pacho Ramos | 2023-01-28 | 1 | -2/+2 |
| | | | | | | Closes: https://bugs.gentoo.org/891811 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/votca-csg: treeclean |   Jakov Smolić | 2023-01-27 | 4 | -202/+0 |
| | | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | ||||
| * | sci-chemistry/votca-csgapps: treeclean | Jakov Smolić | 2023-01-27 | 3 | -46/+0 |
| | | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | ||||
| * | sci-chemistry/votca-xtp: treeclean | Jakov Smolić | 2023-01-27 | 4 | -110/+0 |
| | | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | ||||
| * | sci-chemistry/chemex: add github upstream metadata | Pacho Ramos | 2023-01-24 | 1 | -0/+3 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/chemex: add 2022.2.0 | Pacho Ramos | 2023-01-24 | 2 | -0/+43 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | */*: remove py3.8 from PYTHON_COMPAT |   David Seifert | 2023-01-14 | 29 | -46/+46 |
| | | | | | Signed-off-by: David Seifert <soap@gentoo.org> | ||||
| * | */*: make mycmakeargs local | David Seifert | 2023-01-03 | 15 | -39/+39 |
| | | | | | | Closes: https://github.com/gentoo/gentoo/pull/28947 Signed-off-by: David Seifert <soap@gentoo.org> | ||||
| * | sci-chemistry/dssp: drop 4.0.3 |   Andreas Sturmlechner | 2023-01-02 | 2 | -32/+0 |
| | | | | | Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> | ||||
| * | sci-chemistry/MDAnalysis: Version bump. No longer depend on nose | Alexey Shvetsov | 2022-12-26 | 3 | -41/+5 |
| | | | | | | | Closes: https://bugs.gentoo.org/765160 Closes: https://bugs.gentoo.org/878723 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: fix muParser dep |   Christoph Junghans | 2022-12-24 | 5 | -5/+5 |
| | | | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org> | ||||
| * | sci-chemistry/votca: version bump | Christoph Junghans | 2022-12-23 | 2 | -0/+81 |
| | | | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Fix manual build | Alexey Shvetsov | 2022-12-22 | 3 | -3/+3 |
| | | | | | | | Closes: https://bugs.gentoo.org/887611 Closes: https://bugs.gentoo.org/887683 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555 |   Sam James | 2022-12-20 | 1 | -1/+1 |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Refuse to build with double + opencl enabled | Alexey Shvetsov | 2022-12-21 | 15 | -0/+15 |
| | | | | | | | Closes: https://bugs.gentoo.org/873166 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: remove mkl-10 hack | Alexey Shvetsov | 2022-12-21 | 15 | -75/+0 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Make all uris https | Alexey Shvetsov | 2022-12-20 | 16 | -63/+127 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Add 2023.x release series | Alexey Shvetsov | 2022-12-20 | 4 | -4/+643 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Fix pep517 | Alexey Shvetsov | 2022-12-20 | 7 | -7/+14 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Add 2022.4 and fix pep517 | Alexey Shvetsov | 2022-12-20 | 4 | -6/+9 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/raster3d: add media-libs/libtiff subslot dep | Sam James | 2022-12-16 | 1 | -2/+2 |
| | | | | | | | libtiff changed SONAME. Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/molmol: add media-libs/libtiff subslot dep | Sam James | 2022-12-16 | 1 | -2/+2 |
| | | | | | | | libtiff changed SONAME. Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/dssp: Keyword 4.2.0 x86, #884313 | Arthur Zamarin | 2022-12-05 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/dssp: add github upstream metadata | Pacho Ramos | 2022-12-04 | 1 | -0/+3 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/dssp: add 4.2.0 | Pacho Ramos | 2022-12-04 | 2 | -0/+32 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/molmol: Drop unused eclass | Pacho Ramos | 2022-11-20 | 1 | -1/+1 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/molmol: Fix sed usage | Pacho Ramos | 2022-11-20 | 2 | -11/+10 |
| | | | | | | | | And provide an icon with higher resolution Closes: https://bugs.gentoo.org/710876 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/mdtraj: use HTTPS, fix LICENSE |   Michael Mair-Keimberger | 2022-11-19 | 2 | -6/+6 |
| | | | | | | Signed-off-by: Michael Mair-Keimberger <mmk@levelnine.at> Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org> | ||||
| * | sci-chemistry/molequeue: fix UnquotedVariable | Arthur Zamarin | 2022-11-10 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/GromacsWrapper: remove unused patch(es) | Michael Mair-Keimberger | 2022-10-30 | 1 | -11/+0 |
| | | | | | | | Signed-off-by: Michael Mair-Keimberger <mmk@levelnine.at> Closes: https://github.com/gentoo/gentoo/pull/28029 Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/GromacsWrapper: add 0.8.2, drop 0.8.0-r1 | Alexey Shvetsov | 2022-10-29 | 2 | -7/+3 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/chemex: drop 2021.4.0_p6-r1 | Pacho Ramos | 2022-10-25 | 2 | -41/+0 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/chemex: add 2022.1.0 | Pacho Ramos | 2022-10-25 | 2 | -0/+43 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/wxmacmolplt: align longdescription opening and closing tags |   Petr Vaněk | 2022-10-20 | 1 | -2/+2 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/tm-align: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -14/+14 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/suitename: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -13/+13 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/pdbmat: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -13/+13 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/pdbcat: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -15/+15 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/nmrglue: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -15/+15 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/cluster: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -8/+8 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/clashlist: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -7/+7 |
| | | | | | | Signed-off-by: Petr Vaněk <arkamar@atlas.cz> Signed-off-by: Sam James <sam@gentoo.org> | ||||
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