diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 8210 -> 8208 bytes | |||
| -rw-r--r-- | sci-chemistry/gromacs/Manifest | 6 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2025.0_beta.ebuild | 11 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2025.9999.ebuild | 11 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-9999.ebuild | 11 |
5 files changed, 33 insertions, 6 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 0ce871925f10..e511ad5ee570 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest index a1c12682c154..3bcf83c4082d 100644 --- a/sci-chemistry/gromacs/Manifest +++ b/sci-chemistry/gromacs/Manifest @@ -17,7 +17,7 @@ EBUILD gromacs-2023.9999.ebuild 9810 BLAKE2B 2699ca418732f4d94f3bce156ed10fb1eed EBUILD gromacs-2024.3.ebuild 9861 BLAKE2B 91292003b82dd0a777dc4f20f2163c473d0f7bb59c8b2166146cb583611f4348cfcace6c72de7317c7b063d60460fe80b0b0d6f2dd656994e884884d9cebd540 SHA512 fc821eece5f1db1830bb52ca47f00eef6adde9d8db0e0410581cf43b9b07a98fa5896fb39d76d4806657faaa34618cacdd0c265d55a09489837efac2b63bc5c3 EBUILD gromacs-2024.4.ebuild 9863 BLAKE2B e0426fcbdb1aa7479c672c310e83306e486a3a0b56ca9392af109c7c885b9ad21d7d5b6fd8c8291c871faa72bf775acd2bddd4886ac8a88f19f08723ad41b0f5 SHA512 b25a06c95486a102b661c52208a3439de0431eb37d0433198a43052575236a3fe78d7cf65f210ca4d0a96e0edbd6e95a0dba84c58b451c81a8260f2a73e3f087 EBUILD gromacs-2024.9999.ebuild 9817 BLAKE2B a7a7d5f1c6ad06465c8c1fdf2451eadeb7c954d3b55632a71df4e915867482b49956c0a1264ce067bd2b78ce7c84c3b15d4c8a23dd05a5f430e99ec6c7024e43 SHA512 a1d71b01c64605ab07dafe53f5d0d3f7ffe5fe698e9a5c5e7b1dfecaaa2cb95880e848714b566a7ebf58cd92243ded9642ebb4d5c5da15c0a9667795d31a421d -EBUILD gromacs-2025.0_beta.ebuild 10192 BLAKE2B 73e5c6b7b1a1e50254770ca278aa3adb089dd8856edaf9f9ad361491e0b3e4ab5afa5f31027c083bd5983f553aa28b53515b6aae6c4b2b45b90c6f9b239ce75a SHA512 26494335e01ea1b6023d60e2d1387905f2a4ce2884fef9b101f83bb1709a5a88f883b434027a8892d94d9ea1ca0b70211deb2c9ad51783d518f2406229b29545 -EBUILD gromacs-2025.9999.ebuild 10092 BLAKE2B 98bc287b210c73f65fb7ac0b7ad7891f521263e2b82ecda8be07cb86e6f41309e838f7aafa323ff19a3a4226766a4086ac7b0af6f625e2afbc05d6799e89763a SHA512 fda82c8fb34f00f65c7a3ab0d6d869afe96beca74eae80e3888823975976dffd09f03989589dfef1bba40fb47e5410507c7e98a8ce39aed7284ceabe95f73ddc -EBUILD gromacs-9999.ebuild 10131 BLAKE2B 68dcf94f306740c5d491a5ec49cb5204abb524f0b174054920855634ab089ad841b4ff5b9eccc37cb73a18d4f71e3c2f39361be28a8ee5e537da5d7cd2933dea SHA512 016d109936b3e5e8ffeadc13b93a8270d3cbdd47a4afe6b72d507e4c56573346a49baf87bc8eca3b9b80ccf6807ca1d19e9b591338786652ffb63c6bc0ee3b83 +EBUILD gromacs-2025.0_beta.ebuild 10489 BLAKE2B c5c0d548041bb3451b3582f0e7cc9c4c33114b6a46a36dfca336fa3cebfc7eece47b6e8021499acae3dd634c8a530e93b2f76312f5e300956c9341e40312afb6 SHA512 9d8b96759f3c25d463b04c20aa4c51751c1a8db25918f5f755ca50d908cf0d4eb99ba9854307322f52bf0f109b7709ca9f9173b781b8028856366d154780aa3e +EBUILD gromacs-2025.9999.ebuild 10389 BLAKE2B 61adfd034e8e3f7a87baca74d419c992ec6ed5a8c2800ccdd886c444a73a3cf9ca68ec9be6dfbeccd48ff6d5d5eb0654e69a16a9c7c6261a014ec44832cab3bf SHA512 e7dabee6598f22556d6445391338b242e452a4ccac1ca7febed7fcdcd2a6542927fa3dd73350fd0aa96d99af6c2fd8853b9b015ac61b3170011bf4340e043f13 +EBUILD gromacs-9999.ebuild 10428 BLAKE2B 00356f3a9d2a1d412db41ad76a0052dc5dded3172f02ff531dec289c00c67ff355d1c5a6e57434485caff0b1108a18787e24e20f1d6fe117d75dd54a30d473d9 SHA512 8ccd8693b292503008ed630af70769dae734fe57ef2bafd28453ef89fc92ece5ff688ba7c85e17e0107875be5410ea81e6409aba694ed73793784d1d7333559b MISC metadata.xml 1394 BLAKE2B d387fba17fee85119e42ff18968f18d26bcbf5997361b4b1e93eeea1a8df54a9173b614f7d315000ecd0e4fa247becfb1236697825c0579fa7dcaff51a8185e5 SHA512 f8d9ebc33ad1f391dde1b7e056ad9b7860a902b805363c988962743cd4f37af69a0b1acd3323a95b9740ded0abf20904895605d78fecebdf94a4562ccd3ab9e8 diff --git a/sci-chemistry/gromacs/gromacs-2025.0_beta.ebuild b/sci-chemistry/gromacs/gromacs-2025.0_beta.ebuild index 5008ec6e3402..b3605cdfa525 100644 --- a/sci-chemistry/gromacs/gromacs-2025.0_beta.ebuild +++ b/sci-chemistry/gromacs/gromacs-2025.0_beta.ebuild @@ -63,6 +63,15 @@ CDEPEND=" BDEPEND="${CDEPEND} virtual/pkgconfig clang? ( >=llvm-core/clang-6:* ) + doc? ( + $(python_gen_cond_dep ' + dev-python/sphinx[${PYTHON_USEDEP}] + dev-python/sphinx-copybutton[${PYTHON_USEDEP}] + dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}] + dev-python/sphinx-argparse[${PYTHON_USEDEP}] + dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}] + ') + ) build-manual? ( app-text/doxygen $(python_gen_cond_dep ' @@ -244,7 +253,7 @@ src_configure() { -DGMX_USE_HDF5=off -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off - -DGMX_BUILD_HELP=on + -DGMX_BUILD_HELP=$(usex doc) -DGMX_SIMD="$acce" -DGMX_NNPOT="$nnpot" -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/" diff --git a/sci-chemistry/gromacs/gromacs-2025.9999.ebuild b/sci-chemistry/gromacs/gromacs-2025.9999.ebuild index 246e16303e94..bec110e3340c 100644 --- a/sci-chemistry/gromacs/gromacs-2025.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2025.9999.ebuild @@ -63,6 +63,15 @@ CDEPEND=" BDEPEND="${CDEPEND} virtual/pkgconfig clang? ( >=llvm-core/clang-6:* ) + doc? ( + $(python_gen_cond_dep ' + dev-python/sphinx[${PYTHON_USEDEP}] + dev-python/sphinx-copybutton[${PYTHON_USEDEP}] + dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}] + dev-python/sphinx-argparse[${PYTHON_USEDEP}] + dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}] + ') + ) build-manual? ( app-text/doxygen $(python_gen_cond_dep ' @@ -239,7 +248,7 @@ src_configure() { -DGMX_USE_HDF5=off -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off - -DGMX_BUILD_HELP=on + -DGMX_BUILD_HELP=$(usex doc) -DGMX_SIMD="$acce" -DGMX_NNPOT="$nnpot" -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/" diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild index 42d8e3a5c0c7..1cc913c0aeed 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -64,6 +64,15 @@ CDEPEND=" BDEPEND="${CDEPEND} virtual/pkgconfig clang? ( >=llvm-core/clang-6:* ) + doc? ( + $(python_gen_cond_dep ' + dev-python/sphinx[${PYTHON_USEDEP}] + dev-python/sphinx-copybutton[${PYTHON_USEDEP}] + dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}] + dev-python/sphinx-argparse[${PYTHON_USEDEP}] + dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}] + ') + ) build-manual? ( app-text/doxygen $(python_gen_cond_dep ' @@ -240,7 +249,7 @@ src_configure() { -DGMX_USE_HDF5=$(usex hdf5) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off - -DGMX_BUILD_HELP=on + -DGMX_BUILD_HELP=$(usex doc) -DGMX_SIMD="$acce" -DGMX_NNPOT="$nnpot" -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/" |