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-rw-r--r--metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r12
-rw-r--r--metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.02
-rw-r--r--metadata/md5-cache/sci-chemistry/Manifest.gzbin14527 -> 14711 bytes
-rw-r--r--metadata/md5-cache/sci-chemistry/chemex-2018.10.32
-rw-r--r--metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p216
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.42
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.62
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.22
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.32
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.99992
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-99992
-rw-r--r--metadata/md5-cache/sci-chemistry/mdtraj-1.9.42
-rw-r--r--metadata/md5-cache/sci-chemistry/modeller-9.252
-rw-r--r--metadata/md5-cache/sci-chemistry/nmrglue-0.72
-rw-r--r--metadata/md5-cache/sci-chemistry/propka-3.2.02
-rw-r--r--metadata/md5-cache/sci-chemistry/pymol-2.4.0-r12
-rw-r--r--metadata/md5-cache/sci-chemistry/pymol-2.5.02
17 files changed, 31 insertions, 15 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1
index a97c0fb24719..85d488853afb 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.0.tar.gz -> GromacsWrapper-0.8.0.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd wrapper 4251d4c84c25f59094fd557e0063a974
+_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd wrapper 4251d4c84c25f59094fd557e0063a974
_md5_=02ab15bd0be40f1104b82e10c946a29a
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
index c320dcfead62..2b6ea8c494be 100644
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-1.0.0.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
+_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
_md5_=173924a2840018a8cf103252a07a1c8d
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index b5858451525c..c4edec7c2cd5 100644
--- a/metadata/md5-cache/sci-chemistry/Manifest.gz
+++ b/metadata/md5-cache/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2018.10.3 b/metadata/md5-cache/sci-chemistry/chemex-2018.10.3
index da04f74306ad..ee9d24c21c04 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2018.10.3
+++ b/metadata/md5-cache/sci-chemistry/chemex-2018.10.3
@@ -12,5 +12,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9
RESTRICT=!test? ( test ) !test? ( test )
SLOT=0
SRC_URI=https://github.com/gbouvignies/chemex/archive/2018.10.3.tar.gz -> chemex-2018.10.3.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
+_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
_md5_=3275627c04cf126235173404b2fc026c
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p2 b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p2
new file mode 100644
index 000000000000..571e16735bd6
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p2
@@ -0,0 +1,16 @@
+BDEPEND=test? ( python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_8(-)] >=dev-python/numpy-1.21.0[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.11[python_targets_python3_9(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_9(-)] >=dev-python/numpy-1.21.0[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.11[python_targets_python3_10(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_10(-)] >=dev-python/numpy-1.21.0[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( >=dev-python/pytest-4.5.0[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-4.5.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-4.5.0[python_targets_python3_10(-)] ) ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( >=dev-python/pyproject2setuppy-18[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pyproject2setuppy-18[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pyproject2setuppy-18[python_targets_python3_10(-)] )
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_8(-)] >=dev-python/numpy-1.21.0[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.11[python_targets_python3_9(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_9(-)] >=dev-python/numpy-1.21.0[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.11[python_targets_python3_10(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_10(-)] >=dev-python/numpy-1.21.0[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] )
+DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
+EAPI=8
+HOMEPAGE=https://github.com/gbouvignies/chemex
+IUSE=test test python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10
+KEYWORDS=~amd64
+LICENSE=BSD
+RDEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_8(-)] >=dev-python/numpy-1.21.0[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.11[python_targets_python3_9(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_9(-)] >=dev-python/numpy-1.21.0[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.11[python_targets_python3_10(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_10(-)] >=dev-python/numpy-1.21.0[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] )
+REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
+RESTRICT=!test? ( test ) !test? ( test )
+SLOT=0
+SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev2.tar.gz -> chemex-2021.4.0_p2.tar.gz
+_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
+_md5_=1bbb8fece58aef5e8499f95b58cb94a1
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4
index b4e7e9825e1c..1fd84951cb22 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud
RESTRICT=!test? ( test )
SLOT=0/2020.4
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.4.tar.gz )
-_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
+_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
_md5_=01b04fb2ec28ac60b59ec5669f8f43e3
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.6 b/metadata/md5-cache/sci-chemistry/gromacs-2020.6
index 7eb46627b77f..332c9b385586 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.6
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.6
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud
RESTRICT=!test? ( test )
SLOT=0/2020.6
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.6.tar.gz )
-_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
+_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
_md5_=6c5e2ad761870bdf868917d276f9c5e7
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.2 b/metadata/md5-cache/sci-chemistry/gromacs-2021.2
index 49fc03b1df0d..367c4108f9a2 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.2
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.2
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud
RESTRICT=!test? ( test )
SLOT=0/2021.2
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.2.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.2.tar.gz )
-_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.3 b/metadata/md5-cache/sci-chemistry/gromacs-2021.3
index faf94c013eab..d8a206ab3971 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.3
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.3
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud
RESTRICT=!test? ( test )
SLOT=0/2021.3
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.3.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.3.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.3.tar.gz )
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+_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 27f9a2f19502b925ac117bd657aa2979
_md5_=9361c477017a210f59e8056dd5f4abcd
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
index 96155590629d..e2deb141a643 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
@@ -10,5 +10,5 @@ RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/bl
REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/2021.9999
-_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
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_md5_=51ff5bfd02d9afe75f75c9e2345bbc03
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index 655afb580822..b356e532a305 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-9999
@@ -10,5 +10,5 @@ RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/bl
REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/9999
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+_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979
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diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
index 13f145884b11..6bf4594d6d94 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=test
SLOT=0
SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.4.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
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_md5_=dbdcffa8a3d57c4db3c130a0096698ea
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25
index d4d65bf55ffb..a324cd05738b 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.25
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.25
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=mirror
SLOT=0
SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
+_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
_md5_=5d9975b49fae85d859bbbbd318436f17
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
index 7de4cc6e63b2..33614d019bf9 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.7/nmrglue-0.7.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
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_md5_=197459a7eef5261de4cf3cb0315254ac
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.2.0 b/metadata/md5-cache/sci-chemistry/propka-3.2.0
index 387e9c13655a..3ebeadb44c03 100644
--- a/metadata/md5-cache/sci-chemistry/propka-3.2.0
+++ b/metadata/md5-cache/sci-chemistry/propka-3.2.0
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=mirror://pypi/p/propka/propka-3.2.0.tar.gz
-_eclasses_=distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
+_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa
_md5_=bd048f5978b21207dd0a67d80964171d
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1
index 40c73d8d21bb..5d9703667a1c 100644
--- a/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=mirror
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/v2.4.0.tar.gz -> pymol-2.4.0.tar.gz
-_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 27f9a2f19502b925ac117bd657aa2979
+_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 27f9a2f19502b925ac117bd657aa2979
_md5_=7cfcb3356ddc87975cb0d589bf782adf
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0
index 6b04b7248857..3fa185889ceb 100644
--- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
RESTRICT=mirror
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 c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 39fb83ed394c172aad380c33a8de287e eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 27f9a2f19502b925ac117bd657aa2979
+_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 27f9a2f19502b925ac117bd657aa2979
_md5_=c7ffea6e164d1fd0a5649c6eb3a85da0