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Martin Kurečka
Plumed AlphaFold
Commits
f9eeb6eb
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Commit
f9eeb6eb
authored
5 years ago
by
Giovanni Bussi
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small fixes
parent
f056cf15
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3 changed files
conda/py-plumed/meta.yaml
+3
-5
3 additions, 5 deletions
conda/py-plumed/meta.yaml
conda/recipe/build.sh
+2
-0
2 additions, 0 deletions
conda/recipe/build.sh
conda/recipe/meta.yaml
+1
-9
1 addition, 9 deletions
conda/recipe/meta.yaml
with
6 additions
and
14 deletions
conda/py-plumed/meta.yaml
+
3
−
5
View file @
f9eeb6eb
...
...
@@ -11,18 +11,16 @@ source:
build
:
number
:
0
skip
:
True
# [win]
# Note: --no-deps is currently required due to https://github.com/conda/conda-build/issues/3254
# Once resolved, it should be removed.
# script: "{{ PYTHON }} -m pip install . --no-deps -vv"
requirements
:
build
:
-
{{
compiler('c')
}}
-
{{
compiler('cxx')
}}
host
:
-
python
-
pip
-
cython
run
:
# make sure to test with this version
-
python
test
:
...
...
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conda/recipe/build.sh
+
2
−
0
View file @
f9eeb6eb
...
...
@@ -28,6 +28,8 @@ else
opt
=
STATIC_LIBS
=
-Wl
,-rpath-link,
$PREFIX
/lib
fi
export
CPPFLAGS
=
"-D__PLUMED_DEFAULT_KERNEL=
$PREFIX
/lib/libplumedKernel
$SHLIB_EXT
$CPPFLAGS
"
./configure
--prefix
=
$PREFIX
--enable-shared
--disable-python
--disable-external-lapack
--disable-external-blas
$opt
make
-j4
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conda/recipe/meta.yaml
+
1
−
9
View file @
f9eeb6eb
...
...
@@ -7,28 +7,19 @@ package:
source
:
path
:
../..
# Tar is preferred, but a symlink therein crashes windows builds. Git is ok.
# url: https://github.com/plumed/{{ name }}/archive/v{{ version }}.tar.gz
# sha256: f4cf55c63a6798a0607f4e47eeeee7c1bc191668772c83ce4dabf3a5ba407426
build
:
number
:
0
skip
:
True
# [win]
skip
:
True
# [py<35]
# Note: --no-deps is currently required due to https://github.com/conda/conda-build/issues/3254
# Once resolved, it should be removed.
# script: "{{ PYTHON }} -m pip install . --no-deps -vv"
requirements
:
build
:
-
{{
compiler('c')
}}
-
{{
compiler('cxx')
}}
# - ccache-toolchain
host
:
-
zlib
# cannot link gsl on MacOS
-
gsl
# [linux]
run
:
-
zlib
-
gsl
# [linux]
...
...
@@ -39,6 +30,7 @@ test:
-
plumed info --root
-
plumed info --version
-
plumed info --long-version
-
$PREFIX/lib/plumed/plumed-runtime -h
about
:
home
:
http://www.plumed.org/
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