commit:     3478331a5f6f2612bbba9d91b98b098be44d4075
Author:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Thu Dec  4 15:30:35 2025 +0000
Commit:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Thu Dec  4 15:31:13 2025 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3478331a

sci-chemistry/gromacs: Add new versions of gromacs

Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>

 sci-chemistry/gromacs/Manifest                     |  6 ++++++
 ...macs-2024.9999.ebuild => gromacs-2025.4.ebuild} | 23 +++++++++++++++++++--
 ...s-2024.9999.ebuild => gromacs-2026.9999.ebuild} | 24 ++++++++++++++++++++--
 ...s-2024.9999.ebuild => gromacs-2026_beta.ebuild} | 24 ++++++++++++++++++++--
 4 files changed, 71 insertions(+), 6 deletions(-)

diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index e6f780ae6c94..b66082130db0 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,9 +1,15 @@
 DIST gromacs-2023.5.tar.gz 42079310 BLAKE2B 
e50dbe76396230f4a886280bdebcf7b131506679240e77d2a2263c3b5dbfe7ef754c4265fc04e9acad7932c7691de7f694cc23140a25d0d5be649a4120f45b0c
 SHA512 
f3a34cf0d379d6d4964d7494af6c6617c0c092293ea38a3a248af2dd2a90cae04696d52e68126176065efc480977942b00efa441028e526e1555c7e84551fc0c
 DIST gromacs-2024.6.tar.gz 42340289 BLAKE2B 
babba3ec83e8757d95733a51eebf780a2f0cf5da2fd3b2aa9410cdfca7901955cbd63d2ed0c61fde873b4438d85ae7769afa8f3d7ee1da26571d8989c516ecd4
 SHA512 
eb3d06df3e5c52d3dab801e5c2134fc05ded1bca8b1955f747e4efbb2b4cd1f50680f073592a5c5d580abff0a869ffd1c19c352bc6d9b4ab40465741ed7d001a
 DIST gromacs-2025.3.tar.gz 44407119 BLAKE2B 
7e7385d5a83c02cb7152f789df6b86321b9ee22d7fb53e0e69fd01ba04ec197d1b725047f5c9983595ab124f23310f926e101d12a2113472f3b2aaa53f26b661
 SHA512 
8151bb0f72bf51d0368e40871b68d552c58ed69c0e431601afbf5c7923e7512d2458dfb22eb7fd79cc3c464434ca94a67c99a9f71c7e6b00d7d141789712c157
+DIST gromacs-2025.4.tar.gz 44406127 BLAKE2B 
6a558e979574876bc0077e96733c0f7e267c39bff6afbf840ffc7ce0f2580ff0871136d43aa994f4bb44aa98ad4192cefac003d306c02b89aa026d46a47d2a84
 SHA512 
640bee4b499b06de7dc6a04c6448f174a0232afc2bc90a8e1a862842ea0cdc886eabe6d170d637ccfb9d8e979b74067ac0d52b760fd98c7d6dc47d32e5cd3733
+DIST gromacs-2026-beta.tar.gz 45617869 BLAKE2B 
60cfee3bb818f9c0c528b5d65c9d05263755edb58a0c33fe5a48aca1e5b960cef3ae2fb11c2da18ecfc8610aaa1ca617fbf9000685aee93a4579bda90400b1a6
 SHA512 
ab6f68569231a0f5876381fda467b6bed670aedf633f479d78eef17d5a2e0f22db9602eefab66f3e192a192a312335ff16f192199e90ce5724576de389ae3f12
 DIST manual-2023.5.pdf 13579081 BLAKE2B 
42f687ebcdb79bfc77aabac4fd382940c23ba27da380b8eff342c2e9255a58fc11a0458220d1f71f3c13ab1cf6fdabad00ac1bad741781d0b787899165bea2cc
 SHA512 
0661f166f7a8dc24b4244c0139f366832ddfc1298129df2a6e29800b5d1567318781ab547bc7e9ee54de7a62abba4996f8e3010c91d6917c248117e5711d7dbb
 DIST manual-2024.6.pdf 13698340 BLAKE2B 
7926fe0c09ab1a6027e6e5d2692e2a590ec31c061b0f3e0dd278ffc8bffe923d6342bd9f375758fe5b0ca9c7fd43a216e486c694ba8d644acceb6467aac37425
 SHA512 
9130bda473ddfc475f3c7a6946890189bf225609208fb9e84c81606a72d63383199ac5e05f3620e7d7f96916ee475e19528d03b4ddc4b339772af61825beec45
 DIST manual-2025.3.pdf 13822608 BLAKE2B 
75ea8359a33941f1d44a6c471c03e268c707cdc4717ea43c455c25c5c60b7708e68849aba8fde7872aefa93691ef0bec531b7bd9cb0376b3ddee34c24058bdb5
 SHA512 
e0a3016eb6fc271d617795c1595a15e234c28a8492e2b0471b705c1f597b672ec05d0bb78ff3b977140c5f525dcc72c3b082cc74aee1e4207b9f1c2593a71bb5
+DIST manual-2025.4.pdf 13827071 BLAKE2B 
8bc581f05fe80f1881efd7b3b5f87a34d153847fed92a4cb8b2d98666bd5b84ef46319f9f49f1c47b9940a5fa68b93d543fbf60318defc3884988a9942c1aeff
 SHA512 
451360ba60f2c4fabe09851bdb1712a2273278f01b5b23b5afbf277b3822f8fed7eb64991a549fbac10878f366db15f12e3b93ae6285095fc30731761604f3fa
+DIST manual-2026-beta.pdf 13856429 BLAKE2B 
672c5e555eca4b19582e6e1ec6bdb49c7b73ae61342b5cc77810a5d9d4dfe8a73d21606367d49b7d0dbed55a526187b34f5e7cfcda5820ab80c9312236e320b9
 SHA512 
130cc86caab4d1567bdc274a5619c4527aa2c1555ed74fb6863ac713104cad46fea41d5401a7e0e0fe12a3bf1fc08df35d3583ffab76c5ddf5fdbc38b3693700
 DIST regressiontests-2023.5.tar.gz 48619605 BLAKE2B 
f2549a34750c6866f054614a00a3360a09b82306e6bd5e5b848e18cdd3a3fabaac6203c5ca734901019403225dd47e0d662838abe9a1db7d07662f1c745b8e4f
 SHA512 
3ccaf9db7dfba641a5e98ebff3d735cae3f679926aba443ffedec20dd6c85e67f0e9711ebad5dfa8105122d5411f5de6ded1802a7da4ddf0599657832c8c597a
 DIST regressiontests-2024.6.tar.gz 32776894 BLAKE2B 
75dbf6a6ec5a1d0848a51335a1fb2e6777361d0b823e7f88c5145c881aa819abfc2eaaae1ae438538213c09659e9512bf77b4dc2f0ee63a28a1f213f49b5a47d
 SHA512 
1150396a3c20b7747a4a58c22b26c0c40cf6e6f70b8daabfc71cbe00f2dce3ad1c02d89d264a7d7db3f3e7e9dd1c0b46a438d297cdeb074e50d8d6d3e916950b
 DIST regressiontests-2025.3.tar.gz 32653489 BLAKE2B 
1396872d6ebe2756b02ca1a1d173edd29f4931d2b30280299723b24164e5576c14c59997c00d7919b262fb1a15083dc90541f9f7e48587090002fc7cca9e1332
 SHA512 
fb947dc148e21a69e1ef06258f6c2359156e4afb7c8bee9e659ea461f5e4e9fe3654bec86324e11fcd6624889490ec73cb213bf0111cf76ded966f43c1182a20
+DIST regressiontests-2025.4.tar.gz 32652577 BLAKE2B 
7c4253499e94f5adeb17a17ebb93229b0a8dd0f6694af3b67a751d76e916d96bf461070b56774b331512cc351feb8889c6f843a386ac41e615f33af17d1baa2e
 SHA512 
54c29741229a44e322b2e1445bb8d90ed4d790704d9b13fa392e78d6effa551f685e7c18e2c86ca613a85b34ebc3ddef512b406621d53471c6bbb0e1e8913ff0
+DIST regressiontests-2026-beta.tar.gz 16580940 BLAKE2B 
dbce022c5d43bacd897eb416393cf977f28b1fb731d4da35ae237cbf4a341cbbbe55c036eef59da7240d5758afd2d08c6ccef8f86d0078bad943a3eeb0a6a993
 SHA512 
f48e897b58706a479301fc8d6638dfaab161381da6099d5bdd8aec349a36aa56df32208b5dabf1279c0e475912975cf6fda66c6404a3910bc7f38db4b7dac933

diff --git a/sci-chemistry/gromacs/gromacs-2024.9999.ebuild 
b/sci-chemistry/gromacs/gromacs-2025.4.ebuild
similarity index 92%
copy from sci-chemistry/gromacs/gromacs-2024.9999.ebuild
copy to sci-chemistry/gromacs/gromacs-2025.4.ebuild
index f9fa1c810759..3ec2e6737603 100644
--- a/sci-chemistry/gromacs/gromacs-2024.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2025.4.ebuild
@@ -18,7 +18,7 @@ if [[ ${PV} = *9999* ]]; then
                https://gitlab.com/gromacs/gromacs.git
                https://github.com/gromacs/gromacs.git
                "
-       [[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || 
EGIT_BRANCH="release-${PV:0:4}"
+       [[ ${PV} = 9999 ]] && EGIT_BRANCH="main" || 
EGIT_BRANCH="release-${PV:0:4}"
        inherit git-r3
 else
        SRC_URI="
@@ -26,6 +26,7 @@ else
                doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
                test? ( 
https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
        # since 2022 arm support was dropped (but not arm64)
+       # since 2025 x86-32 support was dropped
        KEYWORDS="~amd64 -arm ~arm64 ~riscv -x86 ~amd64-linux -x86-linux 
~x64-macos"
 fi
 
@@ -39,7 +40,7 @@ HOMEPAGE="https://www.gromacs.org/";
 #        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,    
    memtestG80 library,  mpi_thread lib
 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( 
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
 SLOT="0/${PV}"
-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 ${ACCE_IUSE}"
+IUSE="blas clang clang-cuda cuda  +custom-cflags +doc build-manual 
double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi nnpot 
+offensive opencl openmp +python +single-precision test +threads +tng 
${ACCE_IUSE}"
 
 CDEPEND="
        blas? ( virtual/blas )
@@ -54,6 +55,7 @@ CDEPEND="
        lapack? ( virtual/lapack )
        mkl? ( sci-libs/mkl )
        mpi? ( virtual/mpi[cxx] )
+       nnpot? ( sci-ml/caffe2[cuda=,opencl=] )
        sci-libs/lmfit:=
        >=dev-cpp/muParser-2.3:=
        ${PYTHON_DEPS}
@@ -61,6 +63,13 @@ CDEPEND="
 BDEPEND="${CDEPEND}
        virtual/pkgconfig
        clang? ( >=llvm-core/clang-6:* )
+       $(python_gen_cond_dep '
+                       dev-python/sphinx[${PYTHON_USEDEP}]
+                       dev-python/sphinx-copybutton[${PYTHON_USEDEP}]
+                       dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}]
+                       dev-python/sphinx-argparse[${PYTHON_USEDEP}]
+                       dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}]
+               ')
        build-manual? (
                app-text/doxygen
                $(python_gen_cond_dep '
@@ -182,6 +191,11 @@ src_prepare() {
 src_configure() {
        local mycmakeargs_pre=( ) extra fft_opts=( )
        local acce="AUTO"
+       local nnpot="OFF"
+
+       if use nnpot; then
+               nnpot="TORCH"
+       fi
 
        if use custom-cflags; then
                #go from slowest to fastest acceleration
@@ -229,9 +243,12 @@ src_configure() {
                -DGMX_COOL_QUOTES=$(usex offensive)
                -DGMX_USE_TNG=$(usex tng)
                -DGMX_BUILD_MANUAL=$(usex build-manual)
+               -DGMX_USE_HDF5=off
                -DGMX_HWLOC=$(usex hwloc)
                -DGMX_DEFAULT_SUFFIX=off
+               -DGMX_BUILD_HELP=$(usex doc)
                -DGMX_SIMD="$acce"
+               -DGMX_NNPOT="$nnpot"
                
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
                -DBUILD_TESTING=$(usex test)
                -DGMX_BUILD_UNITTESTS=$(usex test)
@@ -274,6 +291,8 @@ src_compile() {
                einfo "Compiling for ${x} precision"
                BUILD_DIR="${WORKDIR}/${P}_${x}"\
                        cmake_src_compile
+               BUILD_DIR="${WORKDIR}/${P}_${x}"\
+                       cmake_src_compile man
                if use python; then
                        BUILD_DIR="${WORKDIR}/${P}_${x}"\
                                cmake_src_compile       python_packaging/all

diff --git a/sci-chemistry/gromacs/gromacs-2024.9999.ebuild 
b/sci-chemistry/gromacs/gromacs-2026.9999.ebuild
similarity index 92%
copy from sci-chemistry/gromacs/gromacs-2024.9999.ebuild
copy to sci-chemistry/gromacs/gromacs-2026.9999.ebuild
index f9fa1c810759..39d1b28d5525 100644
--- a/sci-chemistry/gromacs/gromacs-2024.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2026.9999.ebuild
@@ -18,7 +18,7 @@ if [[ ${PV} = *9999* ]]; then
                https://gitlab.com/gromacs/gromacs.git
                https://github.com/gromacs/gromacs.git
                "
-       [[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || 
EGIT_BRANCH="release-${PV:0:4}"
+       [[ ${PV} = 9999 ]] && EGIT_BRANCH="main" || 
EGIT_BRANCH="release-${PV:0:4}"
        inherit git-r3
 else
        SRC_URI="
@@ -26,6 +26,7 @@ else
                doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
                test? ( 
https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
        # since 2022 arm support was dropped (but not arm64)
+       # since 2025 x86-32 support was dropped
        KEYWORDS="~amd64 -arm ~arm64 ~riscv -x86 ~amd64-linux -x86-linux 
~x64-macos"
 fi
 
@@ -39,7 +40,7 @@ HOMEPAGE="https://www.gromacs.org/";
 #        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,    
    memtestG80 library,  mpi_thread lib
 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( 
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
 SLOT="0/${PV}"
-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 ${ACCE_IUSE}"
+IUSE="blas clang clang-cuda cuda  +custom-cflags +doc build-manual 
double-precision +fftw +gmxapi +gmxapi-legacy hdf5 +hwloc lapack mkl mpi nnpot 
+offensive opencl openmp +python +single-precision test +threads +tng 
${ACCE_IUSE}"
 
 CDEPEND="
        blas? ( virtual/blas )
@@ -50,10 +51,12 @@ CDEPEND="
                llvm-runtimes/clang-runtime[openmp]
        )
        fftw? ( sci-libs/fftw:3.0= )
+       hdf5? ( sci-libs/hdf5 )
        hwloc? ( sys-apps/hwloc:= )
        lapack? ( virtual/lapack )
        mkl? ( sci-libs/mkl )
        mpi? ( virtual/mpi[cxx] )
+       nnpot? ( sci-ml/caffe2[cuda=,opencl=] )
        sci-libs/lmfit:=
        >=dev-cpp/muParser-2.3:=
        ${PYTHON_DEPS}
@@ -61,6 +64,13 @@ CDEPEND="
 BDEPEND="${CDEPEND}
        virtual/pkgconfig
        clang? ( >=llvm-core/clang-6:* )
+       $(python_gen_cond_dep '
+                       dev-python/sphinx[${PYTHON_USEDEP}]
+                       dev-python/sphinx-copybutton[${PYTHON_USEDEP}]
+                       dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}]
+                       dev-python/sphinx-argparse[${PYTHON_USEDEP}]
+                       dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}]
+               ')
        build-manual? (
                app-text/doxygen
                $(python_gen_cond_dep '
@@ -182,6 +192,11 @@ src_prepare() {
 src_configure() {
        local mycmakeargs_pre=( ) extra fft_opts=( )
        local acce="AUTO"
+       local nnpot="OFF"
+
+       if use nnpot; then
+               nnpot="TORCH"
+       fi
 
        if use custom-cflags; then
                #go from slowest to fastest acceleration
@@ -229,9 +244,12 @@ src_configure() {
                -DGMX_COOL_QUOTES=$(usex offensive)
                -DGMX_USE_TNG=$(usex tng)
                -DGMX_BUILD_MANUAL=$(usex build-manual)
+               -DGMX_USE_HDF5=$(usex hdf5)
                -DGMX_HWLOC=$(usex hwloc)
                -DGMX_DEFAULT_SUFFIX=off
+               -DGMX_BUILD_HELP=$(usex doc)
                -DGMX_SIMD="$acce"
+               -DGMX_NNPOT="$nnpot"
                
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
                -DBUILD_TESTING=$(usex test)
                -DGMX_BUILD_UNITTESTS=$(usex test)
@@ -274,6 +292,8 @@ src_compile() {
                einfo "Compiling for ${x} precision"
                BUILD_DIR="${WORKDIR}/${P}_${x}"\
                        cmake_src_compile
+               BUILD_DIR="${WORKDIR}/${P}_${x}"\
+                       cmake_src_compile man
                if use python; then
                        BUILD_DIR="${WORKDIR}/${P}_${x}"\
                                cmake_src_compile       python_packaging/all

diff --git a/sci-chemistry/gromacs/gromacs-2024.9999.ebuild 
b/sci-chemistry/gromacs/gromacs-2026_beta.ebuild
similarity index 92%
rename from sci-chemistry/gromacs/gromacs-2024.9999.ebuild
rename to sci-chemistry/gromacs/gromacs-2026_beta.ebuild
index f9fa1c810759..39d1b28d5525 100644
--- a/sci-chemistry/gromacs/gromacs-2024.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2026_beta.ebuild
@@ -18,7 +18,7 @@ if [[ ${PV} = *9999* ]]; then
                https://gitlab.com/gromacs/gromacs.git
                https://github.com/gromacs/gromacs.git
                "
-       [[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || 
EGIT_BRANCH="release-${PV:0:4}"
+       [[ ${PV} = 9999 ]] && EGIT_BRANCH="main" || 
EGIT_BRANCH="release-${PV:0:4}"
        inherit git-r3
 else
        SRC_URI="
@@ -26,6 +26,7 @@ else
                doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
                test? ( 
https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
        # since 2022 arm support was dropped (but not arm64)
+       # since 2025 x86-32 support was dropped
        KEYWORDS="~amd64 -arm ~arm64 ~riscv -x86 ~amd64-linux -x86-linux 
~x64-macos"
 fi
 
@@ -39,7 +40,7 @@ HOMEPAGE="https://www.gromacs.org/";
 #        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,    
    memtestG80 library,  mpi_thread lib
 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( 
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
 SLOT="0/${PV}"
-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 ${ACCE_IUSE}"
+IUSE="blas clang clang-cuda cuda  +custom-cflags +doc build-manual 
double-precision +fftw +gmxapi +gmxapi-legacy hdf5 +hwloc lapack mkl mpi nnpot 
+offensive opencl openmp +python +single-precision test +threads +tng 
${ACCE_IUSE}"
 
 CDEPEND="
        blas? ( virtual/blas )
@@ -50,10 +51,12 @@ CDEPEND="
                llvm-runtimes/clang-runtime[openmp]
        )
        fftw? ( sci-libs/fftw:3.0= )
+       hdf5? ( sci-libs/hdf5 )
        hwloc? ( sys-apps/hwloc:= )
        lapack? ( virtual/lapack )
        mkl? ( sci-libs/mkl )
        mpi? ( virtual/mpi[cxx] )
+       nnpot? ( sci-ml/caffe2[cuda=,opencl=] )
        sci-libs/lmfit:=
        >=dev-cpp/muParser-2.3:=
        ${PYTHON_DEPS}
@@ -61,6 +64,13 @@ CDEPEND="
 BDEPEND="${CDEPEND}
        virtual/pkgconfig
        clang? ( >=llvm-core/clang-6:* )
+       $(python_gen_cond_dep '
+                       dev-python/sphinx[${PYTHON_USEDEP}]
+                       dev-python/sphinx-copybutton[${PYTHON_USEDEP}]
+                       dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}]
+                       dev-python/sphinx-argparse[${PYTHON_USEDEP}]
+                       dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}]
+               ')
        build-manual? (
                app-text/doxygen
                $(python_gen_cond_dep '
@@ -182,6 +192,11 @@ src_prepare() {
 src_configure() {
        local mycmakeargs_pre=( ) extra fft_opts=( )
        local acce="AUTO"
+       local nnpot="OFF"
+
+       if use nnpot; then
+               nnpot="TORCH"
+       fi
 
        if use custom-cflags; then
                #go from slowest to fastest acceleration
@@ -229,9 +244,12 @@ src_configure() {
                -DGMX_COOL_QUOTES=$(usex offensive)
                -DGMX_USE_TNG=$(usex tng)
                -DGMX_BUILD_MANUAL=$(usex build-manual)
+               -DGMX_USE_HDF5=$(usex hdf5)
                -DGMX_HWLOC=$(usex hwloc)
                -DGMX_DEFAULT_SUFFIX=off
+               -DGMX_BUILD_HELP=$(usex doc)
                -DGMX_SIMD="$acce"
+               -DGMX_NNPOT="$nnpot"
                
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
                -DBUILD_TESTING=$(usex test)
                -DGMX_BUILD_UNITTESTS=$(usex test)
@@ -274,6 +292,8 @@ src_compile() {
                einfo "Compiling for ${x} precision"
                BUILD_DIR="${WORKDIR}/${P}_${x}"\
                        cmake_src_compile
+               BUILD_DIR="${WORKDIR}/${P}_${x}"\
+                       cmake_src_compile man
                if use python; then
                        BUILD_DIR="${WORKDIR}/${P}_${x}"\
                                cmake_src_compile       python_packaging/all

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