diff options
author | V3n3RiX <venerix@koprulu.sector> | 2023-05-29 21:18:33 +0100 |
---|---|---|
committer | V3n3RiX <venerix@koprulu.sector> | 2023-05-29 21:18:33 +0100 |
commit | 63a4617476a3b084928b38d816b9ed6e196d62f5 (patch) | |
tree | f1c7e30e8c9b33d9f7e7b0a2e3dbd1d1121358c4 /metadata/md5-cache/sci-chemistry | |
parent | 662f71ae67cd775d7fbb79b5091676c0e07a992b (diff) |
gentoo auto-resync : 29:05:2023 - 21:18:33
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
72 files changed, 125 insertions, 125 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 index 86a0cab59afb..279cb213d29a 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 @@ -1,4 +1,4 @@ -BDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test unpack DESCRIPTION=Python framework for Gromacs EAPI=7 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 vcs-snapshot IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 LICENSE=GPL-3 LGPL-3 -RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.2.tar.gz -> GromacsWrapper-0.8.2.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e eapi8-dosym 741bfa77afb2a9321261501aca58c208 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-snapshot eab6d8533446763c2e9777d8bbd1594e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 eapi8-dosym 741bfa77afb2a9321261501aca58c208 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-snapshot eab6d8533446763c2e9777d8bbd1594e _md5_=ecd3a4f0f57b828393ceb8da136725e1 diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 index a0913630fca7..4fc5863a760e 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 @@ -1,4 +1,4 @@ -BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 pypi IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~amd64-linux LICENSE=GPL-2 -RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://files.pythonhosted.org/packages/source/M/MDAnalysis/MDAnalysis-2.4.3.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 3b6a844fbf71f1581992b44c78b549b7 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 3b6a844fbf71f1581992b44c78b549b7 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=84dc6666e8c03adb1bb3340b1d1b52f9 diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex 0f258304adeb..841118a07342 100644 --- a/metadata/md5-cache/sci-chemistry/Manifest.gz +++ b/metadata/md5-cache/sci-chemistry/Manifest.gz diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 index 58165e888cd0..ffba6ae8921c 100644 --- a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 +++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 @@ -1,4 +1,4 @@ -BDEPEND=test? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_10(-)?] +BDEPEND=test? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_10(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=Parameter and topology file editor and molecular mechanical simulator engine EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 IUSE=test python_targets_python3_10 KEYWORDS=~amd64 LICENSE=LGPL-2 -RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) +RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) REQUIRED_USE=|| ( python_targets_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/ParmEd/ParmEd/archive/refs/tags/3.4.3.tar.gz -> ParmEd-3.4.3.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=af636d78c2b62bfc590562bdbab4aab5 diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 index 31f180047a4e..86f128961b28 100644 --- a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 +++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 @@ -11,5 +11,5 @@ RDEPEND=sci-chemistry/procheck virtual/fortran RESTRICT=fetch SLOT=0 SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz ) -_eclasses_=fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=448c80984b2fce68c6d5bef34cf480bc diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 index da596d29fa71..ef0c26eb993f 100644 --- a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 +++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 @@ -10,5 +10,5 @@ LICENSE=GPL-2 RESTRICT=test SLOT=0 SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=043b1d517858236ad58fab99602078ac diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 index ffcc0ff61061..3c9581419ea5 100644 --- a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 @@ -10,5 +10,5 @@ LICENSE=Apache-2.0 RDEPEND=dev-libs/boost:= SLOT=0 SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz -_eclasses_=edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c +_eclasses_=edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c _md5_=39ebb5ee53f9b941621ec7081630d6fe diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 index 6ac4397b076b..5dea781d27c1 100644 --- a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 +++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 @@ -13,5 +13,5 @@ RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolib RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/1.95.1.tar.gz -> avogadro2-1.95.1.tar.gz https://github.com/OpenChemistry/avogadro-i18n/archive/3b8a86cc37e988b043d1503d2f11068389b0aca3.tar.gz -> avogadro2-1.95.1-i18n.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d docs 7b9e167549c44efa7994614f33ba6d7a flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d docs 7b9e167549c44efa7994614f33ba6d7a flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=63852b6e1a0d593b6df49dc2b1b457f0 diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 b/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 index 7a7ea29c5774..d3398535226f 100644 --- a/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 +++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 @@ -13,5 +13,5 @@ RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolib RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/1.97.0.tar.gz -> avogadro2-1.97.0.tar.gz https://github.com/OpenChemistry/avogadro-i18n/archive/13c4286102373658cea48a33b86536ab5793da66.tar.gz -> avogadro2-1.97.0-i18n.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d docs 7b9e167549c44efa7994614f33ba6d7a flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d docs 7b9e167549c44efa7994614f33ba6d7a flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=4d16d471e4fb5d4f76219007401eda51 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 index a06acd73ebae..20a0098be394 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 +++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 @@ -1,4 +1,4 @@ -BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] ) +BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.3.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.5.2[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.5.2[python_targets_python3_11(-)] ) DEFINED_PHASES=compile configure install prepare setup test DEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=test test python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 LICENSE=BSD -RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.3.4.tar.gz -> chemex-2022.3.4.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=dd228c801562e08a6fc5db8d56c90be2 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 index a7712e3de8c2..fd408a649d16 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 +++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 @@ -1,4 +1,4 @@ -BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] ) +BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.3.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.5.2[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.5.2[python_targets_python3_11(-)] ) DEFINED_PHASES=compile configure install prepare setup test DEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=test test python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 LICENSE=BSD -RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.3.5.tar.gz -> chemex-2022.3.5.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=dbb860f5a52f998720d27b1ad83813ad diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 index 2a1918c1aa23..0ea0b54dac80 100644 --- a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 @@ -10,5 +10,5 @@ LICENSE=LGPL-2.1 RDEPEND=x11-misc/shared-mime-info SLOT=0 SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=ef20453c790cdce1b95bf2825929168e diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 index 0a5642774b81..6cf937d39565 100644 --- a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 @@ -11,5 +11,5 @@ LICENSE=LGPL-2.1 RDEPEND=x11-misc/shared-mime-info SLOT=0 SRC_URI=https://github.com/dleidert/chemical-mime/archive/4fd66e3b3b7d922555d1e25587908b036805c45b.tar.gz -> chemical-mime-data-0.1.95_pre20171122.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9ce375c7d4ec0b92d83b9e566a5c9505 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 index b3610e4379af..e4af2387ce6b 100644 --- a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) SLOT=0 SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=ec2a33e3b596e37ff37f7d67c3756378 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 index 33015f1392af..2af6fcf6c347 100644 --- a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 @@ -7,5 +7,5 @@ KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=268abf9ec98b541a31b65182ab2e3413 diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 index c3a45954e06d..ae4c005b0121 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 +++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 @@ -9,5 +9,5 @@ LICENSE=Boost-1.0 RDEPEND=dev-libs/boost:=[bzip2,zlib] SLOT=0 SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=cf10b20eff343f4096e58f9c688d5cfe diff --git a/metadata/md5-cache/sci-chemistry/dssp-3.0.11 b/metadata/md5-cache/sci-chemistry/dssp-3.0.11 index 1e18c5b97276..95492e6d9f87 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-3.0.11 +++ b/metadata/md5-cache/sci-chemistry/dssp-3.0.11 @@ -11,5 +11,5 @@ RDEPEND=dev-lang/perl:= dev-libs/boost:=[bzip2,zlib] RESTRICT=test SLOT=0 SRC_URI=https://github.com/cmbi/hssp/archive/refs/tags/3.0.11.tar.gz -> dssp-3.0.11.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=36876e07318b8187f02ed066e1e34d1e diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.2.2.1 b/metadata/md5-cache/sci-chemistry/dssp-4.2.2.1 index 76d7c64874d2..ed630a382e29 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-4.2.2.1 +++ b/metadata/md5-cache/sci-chemistry/dssp-4.2.2.1 @@ -9,5 +9,5 @@ LICENSE=BSD-2 RDEPEND=dev-libs/boost:=[zlib] >=dev-libs/libmcfp-1.2.2 >=sci-libs/libcifpp-5.0.8 SLOT=0 SRC_URI=https://github.com/PDB-REDO/dssp/archive/refs/tags/v4.2.2.1.tar.gz -> dssp-4.2.2.1.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=672be11d9cf1f1162f4eef0f215b3a9a diff --git a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 index 13b603691080..2c718719f061 100644 --- a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 +++ b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 @@ -10,5 +10,5 @@ LICENSE=GPL-2 RDEPEND=app-text/ghostscript-gpl media-gfx/pstoedit x11-libs/gtk+:2 SLOT=0 SRC_URI=mirror://sourceforge/easychem/easychem-0.6.tar.gz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=1ea10a60ef6dccb3f0be1851d5a6c92b diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 index fd173f569ddd..cf1f8c147a74 100644 --- a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 @@ -9,5 +9,5 @@ LICENSE=GPL-2 RDEPEND=x11-libs/xforms SLOT=0 SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=3d04f4bb12447f29a2873239829212ee diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 index 43ba71e2d971..449405d67cfd 100644 --- a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 +++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 @@ -11,5 +11,5 @@ LICENSE=GPL-3 MIT RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 SLOT=0 SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.0.tar.gz -> gelemental-2.0.0.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=716664ceafa23c14a74889a015499733 diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.1 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.1 index 6e9b6314ce6f..2c136aa4737b 100644 --- a/metadata/md5-cache/sci-chemistry/gelemental-2.0.1 +++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.1 @@ -12,5 +12,5 @@ LICENSE=GPL-3 MIT RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 SLOT=0 SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.1.tar.gz -> gelemental-2.0.1.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=e3bbd7e44322b4a69d0d6c82ecee9634 diff --git a/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 b/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 index e2ca9874fddc..d8ddb353492d 100644 --- a/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 +++ b/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 @@ -12,5 +12,5 @@ LICENSE=GPL-3 RDEPEND=>=dev-libs/glib-2.36.0:2 >=dev-libs/libxml2-2.4.16:2 >=gnome-extra/libgsf-1.14.9 >=sci-chemistry/bodr-5 >=sci-chemistry/chemical-mime-data-0.1.94 >=sci-chemistry/openbabel-2.3.0:0= >=x11-libs/cairo-1.6.0 >=x11-libs/gdk-pixbuf-2.22.0 >=x11-libs/goffice-0.10.12 x11-libs/gtk+:3[X] >=x11-libs/libX11-1.0.0 virtual/glu gnumeric? ( >=app-office/gnumeric-1.12.42:= ) SLOT=0 SRC_URI=http://download.savannah.gnu.org/releases/gchemutils/0.14/gnome-chemistry-utils-0.14.17.tar.xz mirror://debian/pool/main/g/gnome-chemistry-utils/gnome-chemistry-utils_0.14.17-6.debian.tar.xz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=25cbfd313caddda40b9210a79b2d402f diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 index f7f485807844..f0951f9ba248 100644 --- a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 +++ b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] SLOT=0 SRC_URI=https://downloads.sourceforge.net/project/gperiodic/gperiodic-3.0.3.tar.gz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=b6e7f6ff9487568ca79b429e8cd88deb diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 index a20c3104d778..ca7dfe805289 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) RESTRICT=!test? ( test ) SLOT=0/2018.8 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2018.8.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2018.8.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2018.8.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=2e1dcb3cefdfced18f4cc52d5413ed57 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 index 902a7e1d3378..f2f060f2a251 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) RESTRICT=!test? ( test ) SLOT=0/2019.6 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=5ff7b3dcd17d525ae47c83c42a19380d diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7 index cb5f9271737d..ce8f79ffb2a0 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7 @@ -1,4 +1,4 @@ -BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2020.7 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=0296685921498ed1a7c1f4ced5302923 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 b/metadata/md5-cache/sci-chemistry/gromacs-2021.6 index 426506e6b40c..648ce827b3d2 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.6 @@ -1,4 +1,4 @@ -BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2021.6 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.6.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=ce5183cca4639dae7a256980f02c858c diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.7 b/metadata/md5-cache/sci-chemistry/gromacs-2021.7 index 40b74fa92986..228c545af8f9 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.7 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.7 @@ -1,4 +1,4 @@ -BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2021.7 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.7.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=203c8a818d29e3b33e468c6d1d631767 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.4 b/metadata/md5-cache/sci-chemistry/gromacs-2022.4 index c74bf93a3d93..5bc331f1fbc0 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.4 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.4 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4 +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) <sci-chemistry/dssp-4 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.4 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.4.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.4.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=cdd826a94c74837171c33e5212e21e04 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.5 b/metadata/md5-cache/sci-chemistry/gromacs-2022.5 index 8118afdb76f9..af84354199f7 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.5 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.5 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4 +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) <sci-chemistry/dssp-4 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.5 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.5.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.5.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=cdd826a94c74837171c33e5212e21e04 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 index e65823bd944c..fe1a2b964e31 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4 +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) <sci-chemistry/dssp-4 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=cdd826a94c74837171c33e5212e21e04 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023 b/metadata/md5-cache/sci-chemistry/gromacs-2023 index 6bc65fd76f97..180b724fc1fe 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2023 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=97afc417b705ac736ddde182ea746ea2 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.1 b/metadata/md5-cache/sci-chemistry/gromacs-2023.1 index dcb9913d810b..e0e5acb8a8c6 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.1 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2023.1 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.1.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.1.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=97afc417b705ac736ddde182ea746ea2 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 index 5bdab3d22ee2..d45f150c1664 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2023.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=97afc417b705ac736ddde182ea746ea2 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index 8914cc29576b..3acb5b4f2611 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=97afc417b705ac736ddde182ea746ea2 diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 index b7f184775f2c..55c26881f746 100644 --- a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 @@ -10,5 +10,5 @@ LICENSE=BSD RDEPEND=sci-libs/libpdb++ SLOT=0 SRC_URI=mirror://gentoo/ksdssp-040728.shar -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=d9484bfa46cce35d2317ffe1b0a890a9 diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 index 8d0f2585c7ee..5cb9a7d352b5 100644 --- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 @@ -1,4 +1,4 @@ -BDEPEND=dev-python/cython[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/setuptools-65.7.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=dev-python/cython[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) >=dev-python/setuptools-65.7.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( dev-python/ipykernel[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/jupyter-client[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/nbformat[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/scikit-learn[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code @@ -8,10 +8,10 @@ INHERIT=distutils-r1 pypi IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=LGPL-2.1+ -RDEPEND=dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://files.pythonhosted.org/packages/source/m/mdtraj/mdtraj-1.9.7.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 3b6a844fbf71f1581992b44c78b549b7 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 3b6a844fbf71f1581992b44c78b549b7 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=7ece2db928e9e51c33a753ce1f2961b5 diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25 index e7c8eac15bf8..e64fb3781925 100644 --- a/metadata/md5-cache/sci-chemistry/modeller-9.25 +++ b/metadata/md5-cache/sci-chemistry/modeller-9.25 @@ -1,4 +1,4 @@ -BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) +BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) DEFINED_PHASES=compile config configure install postinst postrm prepare setup test DEPEND=>=dev-lang/swig-1.3 DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=doc examples python_targets_python3_10 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=modeller -RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) +RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) REQUIRED_USE=|| ( python_targets_python3_10 ) RESTRICT=mirror SLOT=0 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e eapi8-dosym 741bfa77afb2a9321261501aca58c208 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 eapi8-dosym 741bfa77afb2a9321261501aca58c208 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=1c68117b2425090a258fc04144469ec6 diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5 index ea350b6b5cb2..bf9ce52e5f26 100644 --- a/metadata/md5-cache/sci-chemistry/molden-5.5 +++ b/metadata/md5-cache/sci-chemistry/molden-5.5 @@ -10,5 +10,5 @@ LICENSE=MOLDEN RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran SLOT=0 SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 104e1332efb829e2f7cbf89307a474f1 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib c19072c3cd7ac5cb21de013f7e9832e0 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c _md5_=e001bc09cd538ab64d80eae49115c766 diff --git a/metadata/md5-cache/sci-chemistry/molden-6.9-r1 b/metadata/md5-cache/sci-chemistry/molden-6.9-r1 index ee82243a0351..b11fc74bb32a 100644 --- a/metadata/md5-cache/sci-chemistry/molden-6.9-r1 +++ b/metadata/md5-cache/sci-chemistry/molden-6.9-r1 @@ -11,5 +11,5 @@ LICENSE=MOLDEN RDEPEND=x11-libs/libXmu opengl? ( media-libs/freeglut virtual/opengl virtual/glu ) sci-chemistry/surf virtual/fortran SLOT=0 SRC_URI=ftp://ftp.science.ru.nl/pub/Molden/molden6.9.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=9aa6ccc7bbccdef90f61709317e200a8 diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 index fd38c0e33b08..b5fb891ad859 100644 --- a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 +++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 @@ -9,5 +9,5 @@ KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux ~ppc-macos LICENSE=GPL-2 SLOT=0 SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=09d7af6f95b5462140a4f8f61ead5fa0 diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 index 585726551b3c..a5d09b55f448 100644 --- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 @@ -1,6 +1,6 @@ BDEPEND=doc? ( app-doc/doxygen ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 test? ( x11-base/xorg-server[xvfb] x11-apps/xhost ) DEFINED_PHASES=compile configure install prepare test -DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= ) +DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) net-libs/cppzmq:0= ) DESCRIPTION=Abstract, manage and coordinate execution of tasks EAPI=7 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/ @@ -8,10 +8,10 @@ INHERIT=cmake python-r1 virtualx IUSE=+client doc server test +zeromq python_targets_python3_10 python_targets_python3_11 test KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD -RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= ) +RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) net-libs/cppzmq:0= ) REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e virtualx 817571665ee28575da44ee08135089e5 wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e virtualx 817571665ee28575da44ee08135089e5 wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=2acaaa36499f3c8d72f2f8be2a487a89 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 index 9124e64dd6f6..1bce548e4b88 100644 --- a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 @@ -9,5 +9,5 @@ LICENSE=molmol RDEPEND=|| ( ( media-libs/mesa[X(+)] x11-libs/libGLw ) media-libs/mesa[motif(-),X(+)] ) media-libs/libjpeg-turbo:= media-libs/libpng:= media-libs/tiff:= sys-libs/zlib virtual/glu x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo SLOT=0 SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz https://dev.gentoo.org/~soap/distfiles/molmol-patches.tbz2 https://dev.gentoo.org/~pacho/molmol/molmol_256.png -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=dc8981084de315bd307a426462ffc43d diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 index 291a41ea8d47..81fee0147b97 100644 --- a/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=>=sci-chemistry/openbabel-3:= dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 SLOT=0 SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Molsketch-0.7.2-src.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=bfb3b4e082b1e506b991cf3510a50f16 diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 index 1bef9b241e16..bbcca71668cb 100644 --- a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 @@ -11,5 +11,5 @@ LICENSE=public-domain RDEPEND=dev-libs/libf2c virtual/fortran SLOT=0 SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=b003c0476ccd7ad71ed1861aaad5be2e diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 index 6a9321f90c13..8382adf95001 100644 --- a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) SLOT=0 SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=eba936ba87f329464c8bcdaca1a0c1bf diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 index dedb8194ad5e..028c29091162 100644 --- a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 @@ -7,5 +7,5 @@ KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux LICENSE=BSD SLOT=0 SRC_URI=http://www.csse.monash.edu.au/~karun/mustang/mustang_v3.2.2.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=3468cf6dad6f5b3fd8840e0757ac9dcc diff --git a/metadata/md5-cache/sci-chemistry/namd-2.10 b/metadata/md5-cache/sci-chemistry/namd-2.10 index d9bafecf6703..6e1f591cc2b6 100644 --- a/metadata/md5-cache/sci-chemistry/namd-2.10 +++ b/metadata/md5-cache/sci-chemistry/namd-2.10 @@ -10,5 +10,5 @@ RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= RESTRICT=fetch SLOT=0 SRC_URI=NAMD_2.10_Source.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 104e1332efb829e2f7cbf89307a474f1 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib c19072c3cd7ac5cb21de013f7e9832e0 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c _md5_=9ececc89d028148efb247f92866214f8 diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.9 b/metadata/md5-cache/sci-chemistry/nmrglue-0.9 index 1f612f6b986a..b143d47995bf 100644 --- a/metadata/md5-cache/sci-chemistry/nmrglue-0.9 +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.9 @@ -1,4 +1,4 @@ -BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) doc? ( || ( ( >=dev-lang/python-3.11.1-r1:3.11 >=dev-python/sphinx-5.3.0[python_targets_python3_11(-)] dev-python/sphinx-rtd-theme[python_targets_python3_11(-)] dev-python/numpydoc[python_targets_python3_11(-)] ) ( >=dev-lang/python-3.10.9-r1:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx-rtd-theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ) ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) doc? ( || ( ( >=dev-lang/python-3.11.3:3.11 >=dev-python/sphinx-5.3.0[python_targets_python3_11(-)] dev-python/sphinx-rtd-theme[python_targets_python3_11(-)] dev-python/numpydoc[python_targets_python3_11(-)] ) ( >=dev-lang/python-3.10.11:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx-rtd-theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ) ) python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DESCRIPTION=A module for working with NMR data in Python @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=test doc python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD -RDEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/jjhelmus/nmrglue/archive/v0.9.tar.gz -> nmrglue-0.9.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=35402f3cad87acaf5206a404dff8d4ae diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 index 9a8bb6dd81c0..61dac24214cc 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 +++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 @@ -1,6 +1,6 @@ BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test -DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) DESCRIPTION=Interconverts file formats used in molecular modeling EAPI=8 HOMEPAGE=https://openbabel.org/ @@ -8,10 +8,10 @@ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwi IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos LICENSE=GPL-2 -RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets ) RESTRICT=!test? ( test ) SLOT=0/7.0.0 SRC_URI=https://github.com/openbabel/openbabel/archive/08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b.tar.gz -> openbabel-3.1.1_p20210225.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=d569db4cd3e72f18afa12e1236e9fafb diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999 index 581703991bea..e3193f4cc41d 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-9999 +++ b/metadata/md5-cache/sci-chemistry/openbabel-9999 @@ -1,6 +1,6 @@ BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test unpack -DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) DESCRIPTION=Interconverts file formats used in molecular modeling EAPI=8 HOMEPAGE=https://openbabel.org/ @@ -8,10 +8,10 @@ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwi IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 LICENSE=GPL-2 PROPERTIES=live -RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets ) RESTRICT=!test? ( test ) SLOT=0/7.0.0 SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=e53077b973bbdce4a2cec3f011cd7c33 diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 index 495a2a4bae9d..9a19ecd1a6ef 100644 --- a/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 +++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 @@ -8,5 +8,5 @@ KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=free-noncomm SLOT=0 SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=468efdc0276a4b9606711e3ba7fc6d8f diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 index 9641d5c878a1..8ad45296b488 100644 --- a/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 +++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 @@ -11,5 +11,5 @@ LICENSE=CeCILL-2 RDEPEND=virtual/fortran SLOT=0 SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=d9c289801412f2ea4102c59abe9d1df7 diff --git a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 index dbfab4cb934c..d3180d7d8c02 100644 --- a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 +++ b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 @@ -8,5 +8,5 @@ KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/probe/probe.2.13.110909.src.zip -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=1bd078b7f26db9aec6132b34c1c558ca diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 index e436af46a3ce..119f352d4aea 100644 --- a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 +++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 @@ -11,5 +11,5 @@ RDEPEND=app-shells/tcsh virtual/fortran RESTRICT=fetch SLOT=0 SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz ) -_eclasses_=estack 055c42df72f76a4f45ec92b35e83cd56 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e versionator d3fb3ba33acc3bbbdc4d7970227c100d +_eclasses_=estack 055c42df72f76a4f45ec92b35e83cd56 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e versionator d3fb3ba33acc3bbbdc4d7970227c100d _md5_=b86e2c5d873fef674161fd10b7135120 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.4.0 b/metadata/md5-cache/sci-chemistry/propka-3.4.0 index 1ac54185e5be..4a279855fbea 100644 --- a/metadata/md5-cache/sci-chemistry/propka-3.4.0 +++ b/metadata/md5-cache/sci-chemistry/propka-3.4.0 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=test? ( dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=LGPL-2.1 -RDEPEND=dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/jensengroup/propka/archive/refs/tags/v3.4.0.tar.gz -> propka-3.4.0.gh.tar.gz -_eclasses_=distutils-r1 dc5ca9013da6279b2e24b0ae156f030e multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=distutils-r1 57f007adcdf3953627f14277c7eae6e0 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=df9c2734ddc4d3199b2a42247a6a9496 diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 index 86e18f6f5c48..4d70fbca092f 100644 --- a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 +++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 @@ -12,5 +12,5 @@ RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint RESTRICT=test SLOT=0 SRC_URI=mirror://sourceforge/psicode/psi-3.4.0.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=ecd9eddd7cba15554c7599004f94761a diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 index 76b2ce31930c..f4626cc34e2b 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 @@ -1,4 +1,4 @@ -BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) DEFINED_PHASES=compile configure install postinst postrm preinst prepare test DEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) DESCRIPTION=A Python-extensible molecular graphics system @@ -9,9 +9,9 @@ INHERIT=desktop flag-o-matic xdg distutils-r1 IUSE=+netcdf web python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA -RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) SLOT=0 SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 dc5ca9013da6279b2e24b0ae156f030e flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 57f007adcdf3953627f14277c7eae6e0 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=8bfd0acc1452e7e8fad609d828057dcd diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 index df0cc53bc218..b30dde7094a7 100644 --- a/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 @@ -11,5 +11,5 @@ LICENSE=Artistic-2 RDEPEND=gd? ( media-libs/gd[jpeg,png] ) tiff? ( media-libs/tiff:= ) virtual/fortran SLOT=0 SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-6.tar.gz -> Raster3D_3.0-6.tar -_eclasses_=edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib 104e1332efb829e2f7cbf89307a474f1 prefix eab3c99d77fe00506c109c8a736186f7 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c +_eclasses_=edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 prefix eab3c99d77fe00506c109c8a736186f7 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c _md5_=c88cc114475433720a159ba8343b0b8f diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 index fb3abb1c15b5..03e1769556c0 100644 --- a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 +++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 @@ -7,5 +7,5 @@ KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=33cf8423353d46b4e660655c6d0743c1 diff --git a/metadata/md5-cache/sci-chemistry/surf-1.0 b/metadata/md5-cache/sci-chemistry/surf-1.0 index eec572a1b44e..ceb13efb5803 100644 --- a/metadata/md5-cache/sci-chemistry/surf-1.0 +++ b/metadata/md5-cache/sci-chemistry/surf-1.0 @@ -8,5 +8,5 @@ LICENSE=SURF RDEPEND=!www-client/surf SLOT=0 SRC_URI=http://www.ks.uiuc.edu/Research/vmd/extsrcs/surf.tar.Z -> surf-1.0.tar.Z -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=11ef3a5d77f012e8aec756eb7f11be56 diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 b/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 index b7814f04300f..a2da2ca198da 100644 --- a/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 +++ b/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 @@ -11,5 +11,5 @@ LICENSE=GPL-3 RDEPEND=sci-libs/gsl:= || ( sci-biology/clustalw:2 sci-biology/kalign sci-biology/mafft sci-biology/muscle sci-biology/probcons sci-biology/t-coffee ) SLOT=0 SRC_URI=http://www.theseus3d.org/src/theseus_3.3.0.tar.gz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=73500632580c5b555fb757d3fbbc6005 diff --git a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 index 79d1e20fc033..bd82ec2f10d9 100644 --- a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 +++ b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 @@ -8,5 +8,5 @@ LICENSE=GPL-2 PDEPEND=sci-chemistry/msms-bin SLOT=0 SRC_URI=http://geometry.molmovdb.org/3v/3v-1.2.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=5ca6079a9193f10a01a27b188fadd411 diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 index fdbb67bdc923..b1f2c7c72493 100644 --- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 +++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 @@ -11,5 +11,5 @@ RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar ! RESTRICT=mirror SLOT=0 SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d eapi7-ver 1a0a60ad07c8b32d2faba2d085dc0f24 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea java-pkg-opt-2 4d26f2efd4c5ec82b66d1e8816f421b2 java-utils-2 8c72ea36a4935f626b13a30141d0d39c ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 104e1332efb829e2f7cbf89307a474f1 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4a1902f969e5718126434fc35f3a0d9c +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d eapi7-ver 1a0a60ad07c8b32d2faba2d085dc0f24 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea java-pkg-opt-2 4d26f2efd4c5ec82b66d1e8816f421b2 java-utils-2 8c72ea36a4935f626b13a30141d0d39c ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib c19072c3cd7ac5cb21de013f7e9832e0 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4a1902f969e5718126434fc35f3a0d9c _md5_=d76608229d3c47e52e112ff912da468a diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 index e899b06399a8..97ee04b0d64a 100644 --- a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 @@ -11,5 +11,5 @@ LICENSE=tm-align RDEPEND=virtual/fortran SLOT=0 SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz -_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=c0efb6c6f33b081376d1b36ca966aff2 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 index 9654c67b205a..f83e219b3c1b 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig dev-lang/swig DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup -DEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) +DEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) DESCRIPTION=Visual Molecular Dynamics EAPI=8 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ @@ -9,10 +9,10 @@ INHERIT=cuda desktop prefix python-single-r1 toolchain-funcs xdg IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=vmd -RDEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +RDEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=fetch SLOT=0 SRC_URI=vmd-1.9.4a57.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha57-gentoo-patches.tar.xz -_eclasses_=cuda 13d76baf0dc95e560610c6b7dfa79db4 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cuda 13d76baf0dc95e560610c6b7dfa79db4 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=1c922abe9e5c8d4e07ecb483261843c3 diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022 index e0f3ce7f708a..eac4f4cc3545 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022 +++ b/metadata/md5-cache/sci-chemistry/votca-2022 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare setup test -DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications EAPI=7 HOMEPAGE=https://www.votca.org/ @@ -8,10 +8,10 @@ INHERIT=bash-completion-r1 cmake python-single-r1 IUSE=+gromacs test +python_single_target_python3_10 KEYWORDS=amd64 x86 ~amd64-linux LICENSE=Apache-2.0 -RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/votca/votca/archive/v2022.tar.gz -> votca-2022.tar.gz -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=c60ca57b3113e53bc498c75613cb485c diff --git a/metadata/md5-cache/sci-chemistry/votca-2022.1 b/metadata/md5-cache/sci-chemistry/votca-2022.1 index e56fa067b80a..187c5461bbdb 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022.1 +++ b/metadata/md5-cache/sci-chemistry/votca-2022.1 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare setup test -DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications EAPI=7 HOMEPAGE=https://www.votca.org/ @@ -8,10 +8,10 @@ INHERIT=bash-completion-r1 cmake python-single-r1 IUSE=+gromacs test python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux LICENSE=Apache-2.0 -RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/votca/votca/archive/v2022.1.tar.gz -> votca-2022.1.tar.gz -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=f241004ff74b0729ca815c59c824e20a diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999 index b299c22732a4..0a79a4f735cf 100644 --- a/metadata/md5-cache/sci-chemistry/votca-9999 +++ b/metadata/md5-cache/sci-chemistry/votca-9999 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare setup test unpack -DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications EAPI=7 HOMEPAGE=https://www.votca.org/ @@ -8,9 +8,9 @@ INHERIT=bash-completion-r1 cmake python-single-r1 git-r3 IUSE=+gromacs test +python_single_target_python3_10 LICENSE=Apache-2.0 PROPERTIES=live -RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multilib 104e1332efb829e2f7cbf89307a474f1 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 d676fb844e9408f4290d20bc7312f8bb strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 git-r3 27e13c09a4c7e4c78ac812f74727e676 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=4652fac7d0d919a31b5394224c0f9960 diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 index cbcb749a05e4..8b72de062115 100644 --- a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 +++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 @@ -10,5 +10,5 @@ LICENSE=GPL-2 RDEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] SLOT=0 SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz -_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib 104e1332efb829e2f7cbf89307a474f1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 +_eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 _md5_=79066879c49f635ae7f6925ca500e74a diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 index 07977bcbe1fb..c435f0eb5a6a 100644 --- a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 +++ b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 @@ -7,5 +7,5 @@ KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=olivia SLOT=0 SRC_URI=http://fermi.pharm.hokudai.ac.jp/olivia/documents/xyza2pipe.tgz -> xyza2pipe-20121001.tgz -_eclasses_=multilib 104e1332efb829e2f7cbf89307a474f1 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e _md5_=d056cc95701850434eb72d01e71d2ea5 |