6 files changed, 37 insertions, 36 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.5
index 00f1ad9b8ffa..671379d57da8 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.5
@@ -1,7 +1,7 @@
 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 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?]
 DEFINED_PHASES=compile configure install prepare test unpack
 DESCRIPTION=Python framework for Gromacs
-EAPI=7
+EAPI=8
 HOMEPAGE=https://gromacswrapper.readthedocs.io
 INHERIT=distutils-r1 vcs-snapshot
 IUSE=test python_targets_python3_10 python_targets_python3_11
@@ -11,6 +11,6 @@ RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_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	24344aec2be39c69d9f279b5415298ce	eapi8-dosym	5ac4857ad078256d939c44f7c64197a9	flag-o-matic	be27a904c614cb93ae037762dc69bcc2	multibuild	30dbf3c5a31db09a19f31ad0a68f2405	multilib	c19072c3cd7ac5cb21de013f7e9832e0	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	f3010c780f65d1bb5aea15a9af1adc9c	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	8a28fa6d3e3bc96ff8a7eff2badbe71f	python-utils-r1	12aa0037eb004139215ff04894d52b28	toolchain-funcs	862d337d98edb576796827be2c6b11ca	vcs-snapshot	eab6d8533446763c2e9777d8bbd1594e
-_md5_=ecd3a4f0f57b828393ceb8da136725e1
+SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.5.tar.gz -> GromacsWrapper-0.8.5.tar.gz
+_eclasses_=distutils-r1	24344aec2be39c69d9f279b5415298ce	flag-o-matic	be27a904c614cb93ae037762dc69bcc2	multibuild	30dbf3c5a31db09a19f31ad0a68f2405	multilib	c19072c3cd7ac5cb21de013f7e9832e0	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	f3010c780f65d1bb5aea15a9af1adc9c	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	8a28fa6d3e3bc96ff8a7eff2badbe71f	python-utils-r1	12aa0037eb004139215ff04894d52b28	toolchain-funcs	862d337d98edb576796827be2c6b11ca	vcs-snapshot	eab6d8533446763c2e9777d8bbd1594e
+_md5_=186a2e983e24b6f2de6e21319f4678d0
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index 6b75b289413c..c8ee04800c8d 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/chemex-2022.3.4 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4
deleted file mode 100644
index 67bf93076b75..000000000000
--- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4
+++ /dev/null
@@ -1,17 +0,0 @@
-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 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.6.1[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
-EAPI=8
-HOMEPAGE=https://github.com/gbouvignies/chemex
-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 ) python_single_target_python3_11? ( dev-lang/python: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	24344aec2be39c69d9f279b5415298ce	flag-o-matic	be27a904c614cb93ae037762dc69bcc2	multibuild	30dbf3c5a31db09a19f31ad0a68f2405	multilib	c19072c3cd7ac5cb21de013f7e9832e0	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	f3010c780f65d1bb5aea15a9af1adc9c	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	12aa0037eb004139215ff04894d52b28	toolchain-funcs	862d337d98edb576796827be2c6b11ca
-_md5_=dd228c801562e08a6fc5db8d56c90be2
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.6 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.6
new file mode 100644
index 000000000000..db48886c5499
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.6
@@ -0,0 +1,17 @@
+BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/cachetools-5.3.1[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.25.0[python_targets_python3_10(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_10(-)] >=dev-python/rich-13.4.2[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/cachetools-5.3.1[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.25.0[python_targets_python3_11(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_11(-)] >=dev-python/rich-13.4.2[python_targets_python3_11(-)] >=dev-python/scipy-1.9.3[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 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/pdm-backend-2.1.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/pdm-backend-2.1.0[python_targets_python3_11(-)] )
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_single_target_python3_10? ( >=dev-python/cachetools-5.3.1[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.25.0[python_targets_python3_10(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_10(-)] >=dev-python/rich-13.4.2[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/cachetools-5.3.1[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.25.0[python_targets_python3_11(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_11(-)] >=dev-python/rich-13.4.2[python_targets_python3_11(-)] >=dev-python/scipy-1.9.3[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
+EAPI=8
+HOMEPAGE=https://github.com/gbouvignies/chemex
+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/cachetools-5.3.1[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.25.0[python_targets_python3_10(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_10(-)] >=dev-python/rich-13.4.2[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/cachetools-5.3.1[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.25.0[python_targets_python3_11(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_11(-)] >=dev-python/rich-13.4.2[python_targets_python3_11(-)] >=dev-python/scipy-1.9.3[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python: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/2022.3.6.tar.gz -> chemex-2022.3.6.tar.gz
+_eclasses_=distutils-r1	24344aec2be39c69d9f279b5415298ce	flag-o-matic	be27a904c614cb93ae037762dc69bcc2	multibuild	30dbf3c5a31db09a19f31ad0a68f2405	multilib	c19072c3cd7ac5cb21de013f7e9832e0	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	f3010c780f65d1bb5aea15a9af1adc9c	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	12aa0037eb004139215ff04894d52b28	toolchain-funcs	862d337d98edb576796827be2c6b11ca
+_md5_=af51d45d9331818222891465aa44fac4
diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
deleted file mode 100644
index a46e1243302b..000000000000
--- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1
+++ /dev/null
@@ -1,15 +0,0 @@
-DEFINED_PHASES=compile install preinst prepare pretend setup test
-DEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.6 >=virtual/jdk-1.6 virtual/pkgconfig virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 )
-DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM
-EAPI=6
-HOMEPAGE=http://dasher.wustl.edu/tinker/
-INHERIT=flag-o-matic fortran-2 java-pkg-opt-2 toolchain-funcs
-IUSE=examples java
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=Tinker
-RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 )
-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	c61c368a76fdf3a82fdf8dbaebea3804	eutils	d318efeb438bbec051fa5aaf28d0d42c	flag-o-matic	be27a904c614cb93ae037762dc69bcc2	fortran-2	40c4450f1c4ecb2ee694d96e1958d4ea	java-pkg-opt-2	4d26f2efd4c5ec82b66d1e8816f421b2	java-utils-2	d051ecd608488854eb9252d64d396140	ltprune	97143780d341cc8d8f1d4c6187a36d29	multilib	c19072c3cd7ac5cb21de013f7e9832e0	preserve-libs	21162ec96c87041004a75348d97342dd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	862d337d98edb576796827be2c6b11ca	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	versionator	d3fb3ba33acc3bbbdc4d7970227c100d	wrapper	4a1902f969e5718126434fc35f3a0d9c
-_md5_=d76608229d3c47e52e112ff912da468a
diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1
new file mode 100644
index 000000000000..8809503de0de
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1
@@ -0,0 +1,16 @@
+BDEPEND=virtual/pkgconfig virtual/fortran
+DEFINED_PHASES=compile install preinst prepare pretend setup test
+DEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jdk-1.8:* virtual/fortran >=dev-java/java-config-2.2.0-r3
+DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM
+EAPI=8
+HOMEPAGE=https://dasher.wustl.edu/tinker/
+INHERIT=flag-o-matic fortran-2 java-pkg-2 toolchain-funcs
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=Tinker
+RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.8:* virtual/fortran >=dev-java/java-config-2.2.0-r3
+RESTRICT=mirror
+SLOT=0
+SRC_URI=https://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz
+_eclasses_=flag-o-matic	be27a904c614cb93ae037762dc69bcc2	fortran-2	40c4450f1c4ecb2ee694d96e1958d4ea	java-pkg-2	1794573de2f5124d88b64ee5dc9aabb4	java-utils-2	d051ecd608488854eb9252d64d396140	multilib	c19072c3cd7ac5cb21de013f7e9832e0	toolchain-funcs	862d337d98edb576796827be2c6b11ca
+_md5_=6d70b9199ffe5bef7b7377329ae8781e